 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Chair_STD_B3LYPDBJ-def2TZVPDr.in
 Output=27_methylindane_Chair_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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            ****
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/27_methylindane_Chair_STD/Gau-111571.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/27_methylindane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    111572.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=27_methylindane_Chair_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:28:21 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "27_methylindane_Chair_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.295974000000     -1.028853000000     -0.128687000000
  C                                                -2.606029000000      0.291875000000      0.183416000000
  C                                                -0.973478000000     -1.409110000000     -0.342457000000
  C                                                 0.029531000000     -0.455263000000     -0.247794000000
  C                                                -0.281499000000      0.868664000000      0.064239000000
  C                                                -1.598106000000      1.247679000000      0.283733000000
  C                                                 1.523670000000     -0.639314000000     -0.396640000000
  C                                                 2.019669000000      0.816964000000     -0.580832000000
  C                                                 0.972315000000      1.705463000000      0.125740000000
  H                                                -3.088043000000     -1.762337000000     -0.209833000000
  H                                                -3.637708000000      0.578196000000      0.343549000000
  H                                                -0.735344000000     -2.437795000000     -0.586593000000
  H                                                -1.844116000000      2.275439000000      0.523140000000
  H                                                 1.760590000000     -1.243210000000     -1.276257000000
  C                                                 2.130571000000     -1.320158000000      0.835970000000
  H                                                 2.034988000000      1.060247000000     -1.645001000000
  H                                                 3.029412000000      0.962676000000     -0.195614000000
  H                                                 0.857874000000      2.679448000000     -0.352616000000
  H                                                 1.250132000000      1.896413000000      1.167459000000
  H                                                 1.938821000000     -0.733184000000      1.737056000000
  H                                                 3.211182000000     -1.433117000000      0.725825000000
  H                                                 1.698191000000     -2.310454000000      0.988755000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 20:28:21 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392072   0.000000
     3  C    1.392583   2.415598   0.000000
     4  C    2.398159   2.773145   1.387376   0.000000
     5  C    2.774149   2.397984   2.415055   1.395309   0.000000
     6  C    2.416549   1.392671   2.800143   2.414898   1.387546
     7  C    3.848795   4.272937   2.613670   1.512773   2.396882
     8  C    4.715533   4.717719   3.737801   2.385398   2.390432
     9  C    4.268832   3.847870   3.702146   2.386861   1.508663
    10  H    1.082570   2.146339   2.147963   3.380703   3.856679
    11  H    2.146128   1.082582   3.393834   3.855693   3.380314
    12  H    2.151827   3.397569   1.083745   2.151802   3.400328
    13  H    3.398147   2.151848   3.883706   3.400239   2.152064
    14  H    4.221206   4.853297   2.893896   2.162212   3.229097
    15  C    4.539793   5.045776   3.321404   2.517331   3.347326
    16  H    5.041902   5.047033   4.104292   2.875903   2.885189
    17  H    5.685983   5.687867   4.655111   3.318518   3.322423
    18  H    4.873233   4.241045   4.479984   3.244003   2.179651
    19  H    4.776195   4.291021   4.260372   3.003862   2.149245
    20  H    4.637015   4.911233   3.641804   2.768078   3.208435
    21  H    5.587700   6.091777   4.318933   3.468002   4.234939
    22  H    4.341029   5.093819   3.118070   2.784818   3.857550
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.710679   0.000000
     8  C    3.744501   1.549415   0.000000
     9  C    2.615644   2.464722   1.544547   0.000000
    10  H    3.394660   4.750155   5.734035   5.350211   0.000000
    11  H    2.147501   5.354441   5.737369   4.750840   2.467075
    12  H    3.883883   2.893745   4.264222   4.537632   2.476567
    13  H    1.083572   4.547941   4.274896   2.900876   4.288151
    14  H    4.463063   1.092954   2.189761   3.358816   4.991592
    15  C    4.560897   1.533364   2.566499   3.316680   5.340708
    16  H    4.117586   2.169875   1.091731   2.163585   6.022635
    17  H    4.661000   2.207723   1.090507   2.210577   6.696951
    18  H    2.913201   3.385174   2.206966   1.091132   5.943072
    19  H    3.051932   2.991846   2.194064   1.094908   5.839790
    20  H    4.306486   2.175734   2.789642   3.078550   5.488068
    21  H    5.523709   2.176637   2.861804   3.901706   6.376839
    22  H    4.901320   2.177725   3.513929   4.171244   4.964381
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.287783   0.000000
    13  H    2.475855   4.967440   0.000000
    14  H    5.923083   2.851729   5.349077   0.000000
    15  C    6.092558   3.389140   5.368828   2.145766   0.000000
    16  H    6.030438   4.585986   4.607057   2.348868   3.439576
    17  H    6.699926   5.088168   5.098159   2.764712   2.661468
    18  H    5.011004   5.364631   2.868958   4.129801   4.362263
    19  H    5.129084   5.079781   3.183265   4.011178   3.351326
    20  H    5.895698   3.931438   4.983575   3.061364   1.092366
    21  H    7.148343   4.278655   6.272998   2.479640   1.092068
    22  H    6.101836   2.901729   5.813360   2.504632   1.091321
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760432   0.000000
    18  H    2.382786   2.772640   0.000000
    19  H    3.037286   2.428100   1.754320   0.000000
    20  H    3.829354   2.792945   4.145025   2.777321   0.000000
    21  H    3.636085   2.573308   4.859453   3.889284   1.769575
    22  H    4.290889   3.726695   5.234934   4.234433   1.762282
                   21         22
    21  H    0.000000
    22  H    1.768614   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4876774           1.1963393           0.8919853
 Leave Link  202 at Thu Jul 22 20:28:21 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   538 symmetry adapted cartesian basis functions of A   symmetry.
 There are   478 symmetry adapted basis functions of A   symmetry.
   478 basis functions,   712 primitive gaussians,   538 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       505.9870942501 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0410858014 Hartrees.
 Nuclear repulsion after empirical dispersion term =      505.9460084488 Hartrees.
 Leave Link  301 at Thu Jul 22 20:28:22 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   478 RedAO= T EigKep=  1.19D-06  NBF=   478
 NBsUse=   476 1.00D-06 EigRej=  7.55D-07 NBFU=   476
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Thu Jul 22 20:28:22 2021, MaxMem=  5637144576 cpu:               3.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:28:23 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Chair_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:28:23 2021, MaxMem=  5637144576 cpu:               4.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636556634 LenY=  5636266652
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -388.483617247011    
 DIIS: error= 1.61D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -388.483617247011     IErMin= 1 ErrMin= 1.61D-03
 ErrMax= 1.61D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-03 BMatP= 2.43D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.61D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.225 Goal=   None    Shift=    0.000
 GapD=    0.225 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.92D-03 MaxDP=9.05D-01              OVMax= 1.18D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.91D-03    CP:  1.06D+00
 E= -388.484668691973     Delta-E=       -0.001051444962 Rises=F Damp=F
 DIIS: error= 5.04D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -388.484668691973     IErMin= 2 ErrMin= 5.04D-05
 ErrMax= 5.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.51D-06 BMatP= 2.43D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.774D-02 0.101D+01
 Coeff:     -0.774D-02 0.101D+01
 Gap=     0.224 Goal=   None    Shift=    0.000
 RMSDP=2.53D-04 MaxDP=3.09D-02 DE=-1.05D-03 OVMax= 7.94D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.42D-04    CP:  1.06D+00  1.03D+00
 E= -388.484670522639     Delta-E=       -0.000001830665 Rises=F Damp=F
 DIIS: error= 6.02D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -388.484670522639     IErMin= 2 ErrMin= 5.04D-05
 ErrMax= 6.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-06 BMatP= 2.51D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.454D-02 0.502D+00 0.502D+00
 Coeff:     -0.454D-02 0.502D+00 0.502D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=1.39D-05 MaxDP=1.08D-03 DE=-1.83D-06 OVMax= 3.72D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.08D-05    CP:  1.06D+00  1.03D+00  1.02D+00
 E= -388.484672958022     Delta-E=       -0.000002435383 Rises=F Damp=F
 DIIS: error= 1.26D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -388.484672958022     IErMin= 4 ErrMin= 1.26D-05
 ErrMax= 1.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.37D-08 BMatP= 2.33D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.253D-03 0.110D-01 0.153D+00 0.837D+00
 Coeff:     -0.253D-03 0.110D-01 0.153D+00 0.837D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=5.95D-06 MaxDP=3.63D-04 DE=-2.44D-06 OVMax= 1.12D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.61D-06    CP:  1.06D+00  1.03D+00  1.05D+00  8.99D-01
 E= -388.484673015616     Delta-E=       -0.000000057595 Rises=F Damp=F
 DIIS: error= 7.20D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -388.484673015616     IErMin= 5 ErrMin= 7.20D-06
 ErrMax= 7.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.99D-08 BMatP= 8.37D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.663D-04-0.180D-01 0.729D-01 0.521D+00 0.424D+00
 Coeff:      0.663D-04-0.180D-01 0.729D-01 0.521D+00 0.424D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=9.57D-07 MaxDP=7.30D-05 DE=-5.76D-08 OVMax= 8.30D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.74D-07    CP:  1.06D+00  1.03D+00  1.05D+00  8.95D-01  1.04D+00
 E= -388.484673044534     Delta-E=       -0.000000028918 Rises=F Damp=F
 DIIS: error= 1.16D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -388.484673044534     IErMin= 6 ErrMin= 1.16D-06
 ErrMax= 1.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-09 BMatP= 2.99D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.532D-04-0.104D-01 0.272D-01 0.204D+00 0.238D+00 0.541D+00
 Coeff:      0.532D-04-0.104D-01 0.272D-01 0.204D+00 0.238D+00 0.541D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=2.74D-07 MaxDP=1.34D-05 DE=-2.89D-08 OVMax= 1.84D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.30D-07    CP:  1.06D+00  1.03D+00  1.05D+00  8.89D-01  1.07D+00
                    CP:  9.09D-01
 E= -388.484673046078     Delta-E=       -0.000000001544 Rises=F Damp=F
 DIIS: error= 3.89D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -388.484673046078     IErMin= 7 ErrMin= 3.89D-07
 ErrMax= 3.89D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-10 BMatP= 1.38D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.194D-04-0.329D-02 0.573D-02 0.426D-01 0.754D-01 0.284D+00
 Coeff-Com:  0.596D+00
 Coeff:      0.194D-04-0.329D-02 0.573D-02 0.426D-01 0.754D-01 0.284D+00
 Coeff:      0.596D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=8.95D-08 MaxDP=6.42D-06 DE=-1.54D-09 OVMax= 1.95D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.69D-08    CP:  1.06D+00  1.03D+00  1.05D+00  8.88D-01  1.08D+00
                    CP:  9.41D-01  9.92D-01
 E= -388.484673046194     Delta-E=       -0.000000000116 Rises=F Damp=F
 DIIS: error= 4.61D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -388.484673046194     IErMin= 8 ErrMin= 4.61D-08
 ErrMax= 4.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.67D-12 BMatP= 1.16D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.286D-05-0.410D-03 0.279D-03 0.101D-02 0.974D-02 0.635D-01
 Coeff-Com:  0.195D+00 0.731D+00
 Coeff:      0.286D-05-0.410D-03 0.279D-03 0.101D-02 0.974D-02 0.635D-01
 Coeff:      0.195D+00 0.731D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=2.19D-08 MaxDP=1.28D-06 DE=-1.16D-10 OVMax= 4.38D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.51D-08    CP:  1.06D+00  1.03D+00  1.05D+00  8.88D-01  1.09D+00
                    CP:  9.49D-01  9.90D-01  9.60D-01
 E= -388.484673046161     Delta-E=        0.000000000033 Rises=F Damp=F
 DIIS: error= 9.96D-09 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -388.484673046194     IErMin= 9 ErrMin= 9.96D-09
 ErrMax= 9.96D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-13 BMatP= 2.67D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.362D-06-0.311D-04-0.109D-03-0.102D-02 0.108D-02 0.118D-01
 Coeff-Com:  0.464D-01 0.244D+00 0.698D+00
 Coeff:      0.362D-06-0.311D-04-0.109D-03-0.102D-02 0.108D-02 0.118D-01
 Coeff:      0.464D-01 0.244D+00 0.698D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=4.00D-09 MaxDP=2.45D-07 DE= 3.30D-11 OVMax= 1.39D-07

 SCF Done:  E(RB3LYP) =  -388.484673046     A.U. after    9 cycles
            NFock=  9  Conv=0.40D-08     -V/T= 2.0055
 KE= 3.863521112352D+02 PE=-1.912025570603D+03 EE= 6.312427778727D+02
 Leave Link  502 at Thu Jul 22 20:31:58 2021, MaxMem=  5637144576 cpu:            1713.4 elap:             214.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   476
 NBasis=   478 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    476 NOA=    36 NOB=    36 NVA=   440 NVB=   440

 **** Warning!!: The largest alpha MO coefficient is  0.16973686D+03

 Leave Link  801 at Thu Jul 22 20:31:58 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6655 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.64D-13 8.33D-09 XBig12= 1.00D+00 5.49D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.64D-13 8.33D-09 XBig12= 4.31D-01 9.95D-02.
     11 vectors produced by pass  2 Test12= 2.64D-13 8.33D-09 XBig12= 6.20D-02 6.32D-02.
     11 vectors produced by pass  3 Test12= 2.64D-13 8.33D-09 XBig12= 5.31D-03 1.79D-02.
     11 vectors produced by pass  4 Test12= 2.64D-13 8.33D-09 XBig12= 6.07D-04 8.72D-03.
     11 vectors produced by pass  5 Test12= 2.64D-13 8.33D-09 XBig12= 1.84D-05 9.53D-04.
     11 vectors produced by pass  6 Test12= 2.64D-13 8.33D-09 XBig12= 4.60D-07 1.95D-04.
     11 vectors produced by pass  7 Test12= 2.64D-13 8.33D-09 XBig12= 7.98D-09 1.34D-05.
     11 vectors produced by pass  8 Test12= 2.64D-13 8.33D-09 XBig12= 1.51D-10 1.84D-06.
      7 vectors produced by pass  9 Test12= 2.64D-13 8.33D-09 XBig12= 1.91D-12 3.82D-07.
      2 vectors produced by pass 10 Test12= 2.64D-13 8.33D-09 XBig12= 1.72D-14 2.81D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.62D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.149677D+03
      2  0.166960D+01  0.126403D+03
      3 -0.227993D+01  0.534057D+01  0.844680D+02
 Isotropic polarizability for W=    0.085645      120.18 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.846459D+02 -0.134340D+02  0.874421D+01
      2   0.389615D+02  0.551849D+01 -0.567567D+01
      3   0.456844D+02  0.791553D+01 -0.306855D+01
      4  -0.231349D+02 -0.380531D+02 -0.322115D+02
      5   0.229971D+02 -0.324963D+02  0.370154D+02
      6  -0.147099D+02  0.715348D+01 -0.264833D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.302232D+01 -0.258149D+01  0.275980D+01
      2   0.107706D+02 -0.152707D+02  0.131656D+02
      3   0.128535D+01  0.356071D+02  0.122625D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.284825D+00  0.128292D+02  0.105639D+02
      2  -0.142529D+02 -0.175016D+02 -0.866902D+01
      3  -0.970087D+01  0.770146D+02  0.177864D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.157531D+01 -0.222524D+01 -0.903415D+00
      2  -0.222524D+01  0.326703D+01 -0.364997D+01
      3  -0.903415D+00 -0.364997D+01 -0.167761D+01
 OR G Eigenvalues:    -4.7629    -0.7781     5.5551  Iso=    -0.0047
 Eigenvectors:
   (1)   0.527774   0.468344   0.708596
   (2)   0.819804  -0.062628  -0.569209
   (3)  -0.222208   0.881324  -0.417004
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0047 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =       -1.69 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  114481 ScalPx= 4.98D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  114481 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.22D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.40D-14 2.78D-09 XBig12= 1.00D+00 3.77D-01.
     30 vectors produced by pass  1 Test12= 4.40D-14 2.78D-09 XBig12= 4.30D-02 4.69D-02.
     30 vectors produced by pass  2 Test12= 4.40D-14 2.78D-09 XBig12= 2.04D-03 3.86D-03.
     30 vectors produced by pass  3 Test12= 4.40D-14 2.78D-09 XBig12= 1.96D-05 4.73D-04.
     30 vectors produced by pass  4 Test12= 4.40D-14 2.78D-09 XBig12= 1.35D-07 5.08D-05.
     30 vectors produced by pass  5 Test12= 4.40D-14 2.78D-09 XBig12= 7.90D-10 2.97D-06.
     30 vectors produced by pass  6 Test12= 4.40D-14 2.78D-09 XBig12= 3.43D-12 1.96D-07.
      9 vectors produced by pass  7 Test12= 4.40D-14 2.78D-09 XBig12= 7.97D-15 8.10D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   219 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  114481 ScalPx= 2.66D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  114481 ScalPx= 2.66D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  114481 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.38D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149677D+03  0.166960D+01 -0.227993D+01
      2   0.166960D+01  0.126403D+03  0.534057D+01
      3  -0.227993D+01  0.534057D+01  0.844680D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.302232D+01 -0.258149D+01  0.275980D+01
      2   0.107706D+02 -0.152707D+02  0.131656D+02
      3   0.128535D+01  0.356071D+02  0.122625D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.846459D+02 -0.134340D+02  0.874421D+01
      2   0.389615D+02  0.551849D+01 -0.567567D+01
      3   0.456844D+02  0.791553D+01 -0.306855D+01
      4  -0.231349D+02 -0.380531D+02 -0.322115D+02
      5   0.229971D+02 -0.324963D+02  0.370154D+02
      6  -0.147099D+02  0.715348D+01 -0.264833D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.681955D+00 -0.157492D+01 -0.699787D+00 -0.545077D+01  0.511215D+00
      2  -0.157492D+01 -0.260863D+01 -0.709257D+00  0.511215D+00 -0.231484D+01
      3  -0.699787D+00 -0.709257D+00 -0.232129D+01  0.117337D+01  0.988510D+00
                 6             7             8             9            10 
      1   0.117337D+01 -0.183038D+01  0.786286D+00 -0.399993D+01 -0.497443D+01
      2   0.988510D+00  0.786286D+00  0.147100D+01 -0.317367D+01  0.138352D+01
      3  -0.202830D+01 -0.399993D+01 -0.317367D+01 -0.862695D+00 -0.543914D+00
                11            12            13            14            15 
      1   0.138352D+01 -0.543914D+00  0.271781D+01  0.208496D+01  0.135752D+01
      2  -0.289378D+01 -0.182658D-01  0.208496D+01  0.201381D+01 -0.610501D+00
      3  -0.182658D-01 -0.270547D+01  0.135752D+01 -0.610501D+00  0.601157D+00
                16            17            18            19            20 
      1   0.179450D+00  0.153168D+01 -0.518483D+01 -0.168250D+01  0.434247D+01
      2   0.153168D+01  0.290922D+00  0.115325D+01  0.434247D+01  0.124805D+01
      3  -0.518483D+01  0.115325D+01  0.171930D+01  0.578365D+00 -0.270470D+00
                21            22            23            24            25 
      1   0.578365D+00 -0.592148D+01  0.798768D+00 -0.196289D+00 -0.966906D+00
      2  -0.270470D+00  0.798768D+00 -0.217900D+01  0.112525D+01 -0.118100D+01
      3   0.661018D+00 -0.196289D+00  0.112525D+01 -0.189382D+01 -0.362316D+00
                26            27            28            29            30 
      1  -0.118100D+01 -0.362316D+00  0.155449D+02 -0.461551D+01 -0.194641D+00
      2   0.109662D+01 -0.364257D+01 -0.461551D+01  0.500516D+01  0.173245D+00
      3  -0.364257D+01 -0.275895D+01 -0.194641D+00  0.173245D+00  0.184264D+01
                31            32            33            34            35 
      1  -0.913541D+01 -0.176182D+01 -0.592182D+00 -0.162406D+01 -0.124174D+01
      2  -0.176182D+01 -0.682596D+00 -0.261959D-01 -0.124174D+01 -0.520671D+00
      3  -0.592182D+00 -0.261959D-01 -0.164551D+00  0.330723D+01 -0.156542D+01
                36            37            38            39            40 
      1   0.330723D+01  0.319154D+01  0.423200D+01  0.865692D+00  0.135426D+02
      2  -0.156542D+01  0.423200D+01  0.655883D+01  0.139331D+01  0.304774D+01
      3  -0.153387D+01  0.865692D+00  0.139331D+01  0.176563D+01  0.221112D+00
                41            42            43            44            45 
      1   0.304774D+01  0.221112D+00  0.294975D+01  0.274489D+00  0.229650D+01
      2   0.552655D+01 -0.355873D+00  0.274489D+00 -0.112712D+01  0.241521D+01
      3  -0.355873D+00  0.105951D+01  0.229650D+01  0.241521D+01  0.454319D+00
                46            47            48            49            50 
      1   0.146923D+01 -0.384742D+01 -0.429025D+00  0.536138D+01 -0.680105D+00
      2  -0.384742D+01 -0.270577D+01  0.423450D+00 -0.680105D+00  0.123193D+01
      3  -0.429025D+00  0.423450D+00  0.122563D+00  0.200958D+00 -0.942154D+00
                51            52            53            54            55 
      1   0.200958D+00  0.477825D+00  0.106058D+01 -0.187026D+01 -0.424188D+01
      2  -0.942154D+00  0.106058D+01 -0.760405D+00  0.357781D+01  0.354767D+01
      3   0.204735D+01 -0.187026D+01  0.357781D+01  0.243552D+01 -0.192408D+00
                56            57            58            59            60 
      1   0.354767D+01 -0.192408D+00  0.505228D+01 -0.476805D+01  0.714528D+00
      2  -0.326025D+01  0.867834D+00 -0.476805D+01 -0.171660D+01  0.177806D+01
      3   0.867834D+00 -0.250260D+01  0.714528D+00  0.177806D+01  0.356712D+01
                61            62            63            64            65 
      1  -0.273392D+01  0.133076D+01 -0.480297D+01 -0.666185D+01 -0.218578D+01
      2   0.133076D+01  0.611372D+00  0.472617D+01 -0.218578D+01  0.193450D+01
      3  -0.480297D+01  0.472617D+01  0.164673D+01 -0.229613D+01  0.195028D+00
                66            67            68            69            70 
      1  -0.229613D+01 -0.178953D+01  0.156930D+01  0.366971D+00 -0.415644D+01
      2   0.195028D+00  0.156930D+01  0.302994D+01 -0.134030D+01 -0.127771D+00
      3   0.610805D+00  0.366971D+00 -0.134030D+01 -0.149642D+01 -0.472458D+00
                71            72            73            74            75 
      1  -0.127771D+00 -0.472458D+00 -0.262861D+01 -0.926219D+00 -0.477814D+00
      2  -0.127025D+00 -0.246372D+01 -0.926219D+00 -0.235768D+01 -0.194852D+01
      3  -0.246372D+01  0.607726D+01 -0.477814D+00 -0.194852D+01 -0.188437D+01
                76            77            78            79            80 
      1  -0.116037D+01 -0.413466D+01 -0.149468D+01 -0.222407D+01 -0.303071D+01
      2  -0.413466D+01 -0.856551D+01  0.160351D+01 -0.303071D+01  0.151107D+01
      3  -0.149468D+01  0.160351D+01 -0.110879D+01 -0.348412D+01 -0.343027D+01
                81            82            83            84            85 
      1  -0.348412D+01 -0.748763D+01 -0.464750D+01 -0.401394D+00 -0.452427D+01
      2  -0.343027D+01 -0.464750D+01 -0.345012D+01 -0.249739D+00 -0.451130D+01
      3  -0.466488D+01 -0.401394D+00 -0.249739D+00 -0.571187D+00 -0.675857D+00
                86            87            88            89            90 
      1  -0.451130D+01 -0.675857D+00 -0.270242D+00 -0.517674D+00 -0.306016D-01
      2  -0.504603D+01 -0.624352D+00 -0.517674D+00 -0.877932D+00 -0.889679D-01
      3  -0.624352D+00 -0.581798D+00 -0.306016D-01 -0.889679D-01 -0.937739D-01
                91            92            93            94            95 
      1  -0.129213D+02  0.248126D+01  0.160366D+01  0.254187D+01 -0.212051D+01
      2   0.248126D+01 -0.113993D+01 -0.306942D+00 -0.212051D+01  0.104254D+01
      3   0.160366D+01 -0.306942D+00 -0.935475D+00 -0.675318D+00  0.340339D+00
                96            97            98            99           100 
      1  -0.675318D+00  0.165260D+01 -0.645767D+00 -0.182994D+00  0.519177D+00
      2   0.340339D+00 -0.645767D+00  0.255131D+00  0.969874D-01 -0.137675D+01
      3   0.310196D+00 -0.182994D+00  0.969874D-01  0.203718D+00 -0.333728D+00
               101           102           103           104           105 
      1  -0.137675D+01 -0.333728D+00 -0.878565D+00  0.741341D+00  0.155379D+00
      2   0.132956D+01  0.442125D+00  0.741341D+00 -0.100296D+02 -0.225128D+01
      3   0.442125D+00  0.239957D+00  0.155379D+00 -0.225128D+01 -0.128268D+01
               106           107           108           109           110 
      1  -0.298368D+00  0.439211D+00  0.275596D-01 -0.140866D+01  0.193983D+01
      2   0.439211D+00 -0.237557D+01 -0.601484D+00  0.193983D+01 -0.198356D+01
      3   0.275596D-01 -0.601484D+00 -0.354351D+00  0.499743D+00 -0.532562D+00
               111           112           113           114           115 
      1   0.499743D+00  0.170082D+01 -0.299137D+01 -0.680970D+00  0.480397D+00
      2  -0.532562D+00 -0.299137D+01  0.989970D+01  0.207757D+01 -0.816607D+00
      3  -0.363666D+00 -0.680970D+00  0.207757D+01  0.123060D+01 -0.262975D+00
               116           117           118           119           120 
      1  -0.816607D+00 -0.262975D+00  0.225603D+01 -0.155646D+01 -0.149567D+01
      2   0.212003D+01  0.541455D+00 -0.155646D+01  0.109811D+01  0.459089D+00
      3   0.541455D+00  0.351309D+00 -0.149567D+01  0.459089D+00  0.146706D+01
               121           122           123           124           125 
      1  -0.352812D+01  0.248678D+01  0.105260D+01 -0.264064D+01  0.136263D+01
      2   0.248678D+01 -0.326106D+01 -0.228919D+01  0.136263D+01 -0.252593D+01
      3   0.105260D+01 -0.228919D+01 -0.304838D+01  0.281977D+01 -0.308964D+01
               126           127           128           129           130 
      1   0.281977D+01 -0.922619D+01  0.200458D+01  0.600750D+00 -0.168002D+01
      2  -0.308964D+01  0.200458D+01  0.285353D+01 -0.134112D+01  0.327852D+01
      3  -0.555218D+01  0.600750D+00 -0.134112D+01  0.226184D+01 -0.152491D+01
               131           132           133           134           135 
      1   0.327852D+01 -0.152491D+01  0.616669D+01 -0.280455D+01  0.331111D+01
      2   0.360176D+01 -0.150842D+01 -0.280455D+01  0.113494D+00 -0.375342D+01
      3  -0.150842D+01 -0.333630D+01  0.331111D+01 -0.375342D+01 -0.166812D+01
               136           137           138           139           140 
      1   0.117922D+01  0.583119D+00 -0.103110D+01  0.542855D+00  0.411039D+00
      2   0.583119D+00 -0.143318D+00 -0.237395D+00  0.411039D+00  0.841225D+00
      3  -0.103110D+01 -0.237395D+00  0.200223D+00 -0.548089D+00 -0.124899D+01
               141           142           143           144           145 
      1  -0.548089D+00 -0.150273D+01 -0.634919D+00  0.230316D+01  0.112011D+02
      2  -0.124899D+01 -0.634919D+00 -0.190856D+01  0.259596D+01  0.220710D+01
      3   0.167436D+01  0.230316D+01  0.259596D+01 -0.893452D+01  0.933469D+00
               146           147           148           149           150 
      1   0.220710D+01  0.933469D+00  0.143384D+01  0.135658D+01  0.134989D-01
      2   0.137998D+01 -0.446199D-01  0.135658D+01  0.498402D+00  0.294150D+00
      3  -0.446199D-01  0.113381D+01  0.134989D-01  0.294150D+00  0.305668D+00
               151           152           153           154           155 
      1   0.339998D+01  0.605689D+00  0.156507D+01 -0.137892D+00  0.918597D+00
      2   0.605689D+00  0.662918D+00  0.550956D+00  0.918597D+00 -0.818562D+00
      3   0.156507D+01  0.550956D+00  0.330752D-01 -0.356034D+00  0.227044D+00
               156           157           158           159           160 
      1  -0.356034D+00  0.204374D+01  0.211558D+01 -0.239670D+00 -0.381989D+00
      2   0.227044D+00  0.211558D+01  0.111855D+02 -0.200395D+01 -0.127022D+00
      3   0.110374D+00 -0.239670D+00 -0.200395D+01  0.128302D+01  0.788898D+00
               161           162           163           164           165 
      1  -0.127022D+00  0.788898D+00  0.252737D+01  0.129291D+01  0.163661D+01
      2  -0.351869D+01  0.227541D+01  0.129291D+01  0.940226D+00  0.945650D+00
      3   0.227541D+01 -0.669674D+00  0.163661D+01  0.945650D+00  0.155101D+01
               166           167           168           169           170 
      1   0.909357D+00  0.182536D+01  0.786692D+00  0.438293D+01  0.286384D+01
      2   0.182536D+01  0.309597D+01  0.155076D+01  0.286384D+01  0.342961D+01
      3   0.786692D+00  0.155076D+01  0.122843D+01  0.311121D+01  0.367431D+01
               171           172           173           174           175 
      1   0.311121D+01  0.475160D+00  0.280716D+00  0.614363D+00  0.103150D+01
      2   0.367431D+01  0.280716D+00 -0.575045D+00  0.120759D+00 -0.401492D+00
      3   0.693015D+01  0.614363D+00  0.120759D+00 -0.978633D+00  0.486740D+00
               176           177           178           179           180 
      1  -0.401492D+00  0.486740D+00  0.965849D+00  0.866280D-03  0.415479D+00
      2   0.100144D+01  0.117266D+01  0.866280D-03  0.150062D+01  0.118296D+01
      3   0.117266D+01  0.279334D+01  0.415479D+00  0.118296D+01  0.615775D+01
               181           182           183           184           185 
      1   0.138964D+02 -0.345066D+01  0.106875D+01 -0.137220D+01  0.145533D+01
      2  -0.345066D+01  0.180091D+01 -0.430548D+00  0.145533D+01 -0.126099D+01
      3   0.106875D+01 -0.430548D+00  0.126613D+01  0.818847D-01  0.219125D+00
               186           187           188           189           190 
      1   0.818847D-01 -0.167343D+01  0.594532D+00  0.975960D+00 -0.207192D+00
      2   0.219125D+00  0.594532D+00 -0.456098D+00  0.308100D-01 -0.103256D+01
      3   0.181710D+00  0.975960D+00  0.308100D-01  0.447992D-01  0.502436D-01
               191           192           193           194           195 
      1  -0.103256D+01  0.502436D-01 -0.143732D+01 -0.313199D+00  0.167005D-01
      2  -0.221223D+01  0.841907D+00 -0.313199D+00 -0.791253D+01  0.205128D+01
      3   0.841907D+00 -0.970365D+00  0.167005D-01  0.205128D+01 -0.134142D+01
               196           197           198 
      1  -0.352306D+00  0.277196D+00 -0.268469D+00
      2   0.277196D+00  0.113522D+01 -0.101209D+01
      3  -0.268469D+00 -0.101209D+01  0.103908D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.215507D+01  0.765983D+00 -0.406137D+01  0.280778D+01 -0.607960D+00
      2   0.259328D+01  0.175047D+01  0.479966D+01 -0.258669D+01 -0.281341D+01
      3  -0.657533D+01 -0.111994D+02 -0.117890D+01  0.883822D+01 -0.361046D+01
                 6             7             8             9            10 
      1  -0.884954D+00 -0.796639D+01  0.526178D+01  0.219817D+01  0.642036D+00
      2   0.636916D+01 -0.358749D+00  0.108843D+02  0.357477D+01 -0.945057D+00
      3   0.141464D+01  0.288870D+01  0.343003D+01 -0.471027D+01  0.521654D+01
                11            12            13            14            15 
      1   0.363521D+00  0.194926D+01 -0.282337D+00 -0.280238D+01  0.199455D+01
      2   0.284185D-02  0.789649D+01 -0.377025D+01  0.813333D+00 -0.253171D+01
      3  -0.960526D+01 -0.376918D+00  0.118436D+02  0.397194D+01 -0.182952D+01
                16            17            18            19            20 
      1   0.446483D+01  0.111065D+02  0.229006D+01  0.881870D+00 -0.103517D+01
      2   0.745209D+01 -0.517623D+01 -0.443741D+01 -0.498046D+01  0.316918D+01
      3   0.368312D+01 -0.133444D+01  0.202632D+01  0.929971D+01 -0.642117D+01
                21            22            23            24            25 
      1   0.287328D+01 -0.770572D+00  0.116437D+01 -0.360929D+01  0.369808D+01
      2  -0.151473D+01  0.165091D+01  0.642937D+00  0.240511D+01 -0.142948D+02
      3  -0.370588D+01  0.627315D+01 -0.761956D+01  0.102899D+00 -0.351209D+01
                26            27            28            29            30 
      1   0.469948D+00 -0.141822D+01  0.355737D+00  0.339094D-02  0.209487D+01
      2   0.327861D+01  0.372260D+01  0.257114D+01 -0.382709D+01 -0.164785D+01
      3   0.105029D+01 -0.575549D+01 -0.607988D+01  0.137467D+02  0.196373D+01
                31            32            33            34            35 
      1   0.289137D+00 -0.340383D+01 -0.110658D+01  0.396051D+01  0.986771D+01
      2  -0.218308D+01  0.933711D+00  0.204116D+00 -0.145598D+02 -0.327807D+00
      3   0.122110D+02 -0.112253D+02  0.153545D+01 -0.603824D+00 -0.162804D+01
                36            37            38            39            40 
      1   0.757809D+00 -0.217554D+01 -0.238164D+00 -0.154493D+01  0.547919D+00
      2   0.789555D+00 -0.220682D-01  0.196934D+00 -0.179066D+01  0.439142D+01
      3  -0.248339D+01 -0.236547D+01  0.988705D+01  0.268815D+01  0.119862D+02
                41            42            43            44            45 
      1  -0.834842D+00 -0.599275D+00 -0.443271D+01  0.784037D+01  0.171474D+01
      2  -0.311156D+01 -0.127310D+01 -0.142628D+02 -0.902464D+00  0.187603D+00
      3   0.201132D+02  0.152623D+01 -0.114094D+01  0.335178D+01  0.481302D+01
                46            47            48            49            50 
      1   0.915699D+00 -0.102829D+01 -0.101803D+01 -0.515595D+00  0.613129D-01
      2   0.529738D+00  0.188921D+01 -0.673182D+00  0.208642D+01  0.234989D+01
      3  -0.517391D+01 -0.151232D+02 -0.211305D+01  0.354401D+00  0.390459D+01
                51            52            53            54            55 
      1  -0.354887D+01  0.266661D+01  0.780765D+00 -0.102225D+01 -0.208699D+01
      2  -0.524613D+01 -0.109709D+02 -0.887468D+01 -0.367263D+01 -0.943850D+00
      3  -0.169068D+01 -0.225701D+01 -0.221976D+01  0.545864D+01 -0.183139D+00
                56            57            58            59            60 
      1   0.723316D+00 -0.317753D+01  0.272317D+00  0.462965D+01  0.571647D+00
      2   0.345522D+01 -0.150291D+01  0.436256D+01  0.339365D+00  0.674059D+01
      3  -0.415029D+01  0.806522D+00  0.103371D+02  0.129829D+02 -0.521211D+01
                61            62            63            64            65 
      1  -0.669621D+01  0.742512D+01  0.451866D+00  0.439377D+01 -0.221467D+01
      2  -0.160340D+02  0.102184D+02  0.121015D+01 -0.129319D+02 -0.898496D+00
      3   0.235319D+01 -0.583670D+01 -0.489349D+01  0.174228D+00 -0.113604D+02
                66            67            68            69            70 
      1  -0.721703D+00 -0.798000D+00 -0.245685D+01  0.136544D+01  0.120291D+01
      2   0.148570D+01  0.428668D+00 -0.568040D+00 -0.414058D+01 -0.941003D+01
      3  -0.372155D+01 -0.722465D+01 -0.758503D+01  0.518177D+01 -0.682529D+01
                71            72            73            74            75 
      1   0.561770D+01 -0.468380D+01  0.184408D+01  0.531862D+01  0.411842D+01
      2  -0.769224D+01  0.136025D+02  0.128857D+00 -0.162918D+01 -0.189875D+00
      3   0.349589D+01  0.556738D+01 -0.504308D+01 -0.406352D+01  0.109039D+01
                76            77            78            79            80 
      1   0.197910D+01 -0.884283D+01  0.863940D+00  0.112171D+02  0.140384D+02
      2  -0.187385D+01  0.302392D+01  0.167784D+00 -0.863929D+01 -0.294021D+01
      3   0.118736D+02 -0.895612D+00 -0.781827D+01 -0.523578D+00 -0.142312D+02
                81            82            83            84            85 
      1   0.103477D+02  0.267462D+00  0.485018D+00 -0.234517D+01 -0.405938D+00
      2  -0.361298D+01 -0.496171D+00 -0.438597D+00  0.358403D+01  0.887912D+00
      3  -0.562509D+01 -0.192947D+01 -0.544427D+01  0.507277D-01 -0.421692D+01
                86            87            88            89            90 
      1  -0.454079D-01 -0.256354D+01  0.114270D+01  0.130535D+01 -0.210353D+00
      2   0.949505D+00  0.303626D+01 -0.138379D+01 -0.937117D+00  0.195660D+00
      3  -0.904608D+01 -0.793053D+00 -0.108815D+01 -0.161976D+01  0.628954D-01
                91            92            93            94            95 
      1  -0.199602D+00 -0.587156D+00  0.119152D+01 -0.511255D-01  0.195126D+00
      2  -0.190444D+01  0.347166D+00  0.590597D+01  0.161830D+01 -0.769304D+00
      3   0.202082D+01 -0.537056D+01 -0.253384D+00 -0.417918D+01  0.290930D+01
                96            97            98            99           100 
      1  -0.698572D+00 -0.845275D+00  0.549282D+00 -0.128794D+00  0.298226D+00
      2  -0.166830D+01 -0.213423D+01  0.493526D+00 -0.661087D+00  0.684733D+00
      3   0.749382D+00 -0.183886D+01  0.146811D+01  0.142767D+00 -0.383735D+01
               101           102           103           104           105 
      1   0.518481D-01  0.959851D+00 -0.257830D+00  0.836679D+00 -0.461441D+01
      2  -0.100072D+01 -0.592555D-01 -0.129531D+01  0.251051D+01  0.615430D+00
      3   0.415134D+01  0.105882D+01  0.619333D+01 -0.129061D+02 -0.303079D+01
               106           107           108           109           110 
      1  -0.305844D+00  0.210409D+01 -0.717836D+00 -0.206983D+00  0.150159D+00
      2  -0.131504D+01  0.574741D+00 -0.243452D-01 -0.372651D+00  0.440833D+00
      3   0.143570D+01 -0.333434D+01 -0.472150D+00  0.812469D+00 -0.108003D+01
               111           112           113           114           115 
      1   0.117891D+01  0.120464D+00  0.661053D+00 -0.458081D+01 -0.308320D+00
      2   0.101619D+01  0.203830D+00 -0.331914D+01 -0.272555D+01 -0.791615D+00
      3  -0.329229D+00  0.474855D+00  0.149461D+02  0.305458D+01 -0.166398D+00
               116           117           118           119           120 
      1   0.192915D+01 -0.713623D+00 -0.828744D+00 -0.566059D+00  0.153966D+01
      2  -0.583854D-01 -0.412980D+00 -0.104004D+01  0.368459D+00  0.302770D+01
      3   0.330828D+01  0.355600D+00  0.126228D+01 -0.325328D+01  0.161391D+00
               121           122           123           124           125 
      1   0.326860D+00  0.510987D+00 -0.295611D+01  0.235887D+01  0.920115D+00
      2  -0.114918D+00 -0.263750D+01 -0.546746D+01  0.173029D+01 -0.430423D+01
      3   0.885158D+00  0.341377D+01  0.389479D+01  0.107139D+01  0.501183D+01
               126           127           128           129           130 
      1  -0.386730D+01  0.311330D+01  0.197230D+01  0.309908D+01 -0.191969D+01
      2  -0.839339D+01  0.122764D+02 -0.715786D+01  0.839129D+01 -0.698788D+01
      3   0.403522D+01  0.102918D+02 -0.143656D+02  0.195338D+01 -0.579064D+01
               131           132           133           134           135 
      1   0.425374D+01 -0.117415D+02  0.283335D+01 -0.643841D+01 -0.683282D+01
      2  -0.583250D+01 -0.780188D+01  0.612348D+01 -0.826217D+01 -0.618538D+01
      3  -0.185028D+02  0.767297D+01 -0.818010D-01  0.755240D+01  0.508487D+01
               136           137           138           139           140 
      1   0.642860D-01  0.734918D+00  0.218448D-01  0.885713D+00  0.265903D-01
      2  -0.487009D+00 -0.163870D+00  0.860665D+00 -0.414905D+00 -0.256946D+01
      3  -0.762804D+00  0.700649D+00 -0.194428D+00  0.294076D+01 -0.112188D+01
               141           142           143           144           145 
      1  -0.141068D+01 -0.140913D+01  0.216113D+01  0.678778D+01 -0.242691D+01
      2   0.349833D+01  0.954204D+00  0.486429D+01 -0.188133D+02  0.933072D+01
      3   0.234809D+01 -0.951785D+00  0.510013D+01 -0.285808D+01  0.686781D+01
               146           147           148           149           150 
      1  -0.825560D+00 -0.161472D+01 -0.838260D+00 -0.484953D+00 -0.132717D+01
      2   0.127518D+01  0.647706D+01  0.100346D+01  0.159555D+01  0.112972D+01
      3  -0.552599D+01  0.118188D+01 -0.645680D+00  0.255686D+00 -0.128431D+01
               151           152           153           154           155 
      1  -0.183069D+01 -0.703543D-01 -0.803677D+00  0.407315D+00 -0.983691D+00
      2   0.456262D+01  0.161951D+01  0.175924D+01  0.249973D+00  0.654268D+00
      3   0.254411D+01 -0.279757D+01  0.222553D+00 -0.145157D+01  0.166802D+00
               156           157           158           159           160 
      1  -0.188889D-01  0.216703D+01  0.660548D+01 -0.593804D+01 -0.222895D+01
      2   0.111386D+01 -0.673200D+00 -0.252570D+01  0.134502D+01  0.322823D+00
      3  -0.136955D+01  0.471438D+01 -0.903660D+01  0.234859D+01 -0.214287D+01
               161           162           163           164           165 
      1  -0.460850D+01  0.237941D+01 -0.339566D+01 -0.135274D+01 -0.378917D+01
      2   0.160601D+01 -0.873096D+00 -0.564221D+00  0.766874D+00  0.261264D+01
      3   0.517641D+01 -0.961328D+00  0.649832D+01  0.327008D+00  0.227823D+01
               166           167           168           169           170 
      1  -0.149466D+01 -0.172866D+01 -0.324131D+01 -0.739989D+01 -0.580046D+01
      2   0.694747D+00  0.112859D+01  0.149477D+01  0.139129D+01  0.319613D+01
      3  -0.307606D+00 -0.220654D+00  0.158486D+00  0.721823D+01  0.234597D+01
               171           172           173           174           175 
      1  -0.160112D+02  0.135261D+01 -0.145845D+01 -0.142669D+01 -0.596664D+00
      2   0.678039D+01  0.166572D+01 -0.263337D+00 -0.227540D+01 -0.974419D+00
      3   0.256433D+01 -0.963294D+00  0.849805D+00 -0.693052D+00  0.107341D+01
               176           177           178           179           180 
      1   0.514754D+01  0.483966D+01 -0.152079D+00  0.680627D+01  0.107579D+02
      2   0.363518D+01  0.666975D+01 -0.312046D+01  0.376430D+01  0.143979D+02
      3  -0.265234D+01 -0.363593D+01 -0.642101D+00 -0.433301D+01 -0.381160D+01
               181           182           183           184           185 
      1   0.263395D+00  0.106169D+01  0.251348D+01  0.903584D+00 -0.604989D+00
      2  -0.795042D+01  0.948231D+00  0.623039D+01  0.130239D+01 -0.561109D-01
      3  -0.143769D+02 -0.316609D+01 -0.311245D+00  0.138610D-01  0.182659D+01
               186           187           188           189           190 
      1  -0.228175D+00  0.124866D+01  0.102304D+01  0.216744D+00 -0.132430D+01
      2   0.587914D-01  0.141582D+01  0.314279D+00 -0.475661D+00  0.146768D+01
      3  -0.545286D+00  0.637394D+00 -0.316256D+00 -0.190018D+01  0.546508D+01
               191           192           193           194           195 
      1  -0.134082D+01 -0.182196D+01 -0.122923D+01 -0.495113D+01 -0.282020D+01
      2   0.278559D+01 -0.151349D+01  0.224389D+01  0.628024D+01 -0.288013D+01
      3   0.709569D+01 -0.166441D+01  0.718756D+01  0.209381D+02 -0.528273D+01
               196           197           198 
      1  -0.385012D+00  0.915091D+00  0.118615D+01
      2  -0.151323D+01 -0.217854D+01  0.247672D+01
      3  -0.571434D-01 -0.364007D+01  0.313748D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.298292D+01 -0.228249D+02 -0.341699D+01  0.296216D+02  0.212313D+00
      2  -0.216539D+01  0.161067D+02 -0.136829D+01 -0.283558D+02 -0.400037D+01
      3   0.514831D+01  0.671816D+01  0.478528D+01 -0.126571D+01  0.378806D+01
      4  -0.203093D+02  0.110133D+02  0.496853D+01  0.121812D+01 -0.156209D+02
      5   0.171676D+01  0.305167D+01  0.110391D+02 -0.695302D+01 -0.860790D+01
      6   0.236551D+01  0.296886D+01  0.943234D+01 -0.813616D+01 -0.469021D+01
                 6             7             8             9            10 
      1  -0.736452D+00  0.115055D+02  0.383007D+01  0.674402D+01 -0.109009D+02
      2   0.243702D+01 -0.124629D+02 -0.621774D+01 -0.109382D+02  0.667836D+01
      3  -0.170057D+01  0.957433D+00  0.238767D+01  0.419419D+01  0.422252D+01
      4  -0.106894D+02 -0.160661D+01 -0.105575D+02  0.132593D+02  0.762345D+01
      5   0.130837D+02  0.265034D+02  0.160166D+02  0.715239D+01  0.714404D+01
      6   0.290661D+01  0.874089D+01  0.116184D+02 -0.284874D+01  0.361571D+00
                11            12            13            14            15 
      1   0.726313D+01  0.792209D+01 -0.217714D+02 -0.193601D+02 -0.678535D+01
      2  -0.466692D+01 -0.287287D+01  0.184689D+02  0.177533D+02  0.831854D+01
      3  -0.259622D+01 -0.504922D+01  0.330255D+01  0.160681D+01 -0.153319D+01
      4   0.244781D+02 -0.292565D+00 -0.205876D+02  0.127028D+02  0.823514D+01
      5  -0.477348D+00  0.172149D+02 -0.118295D+02  0.561750D+01 -0.507071D+01
      6  -0.265443D+00 -0.426243D+01  0.677720D+01  0.399495D+01 -0.358798D+01
                16            17            18            19            20 
      1   0.436899D+01 -0.949239D+01  0.129645D+02  0.980430D+01  0.455630D+01
      2   0.216867D+01  0.673863D+01 -0.178584D+02 -0.790775D+01 -0.676911D+01
      3  -0.653766D+01  0.275375D+01  0.489387D+01 -0.189655D+01  0.221282D+01
      4  -0.141059D+02  0.382793D+01 -0.359617D+01  0.916644D+01 -0.229271D+02
      5   0.349045D+02 -0.616782D+01 -0.908594D+01 -0.195514D+01 -0.158911D+01
      6  -0.209132D+01  0.611323D+01 -0.339939D+01 -0.744092D+00  0.150142D+01
                21            22            23            24            25 
      1  -0.194359D+01  0.562192D+01  0.110254D+02  0.561486D+01 -0.162749D+01
      2   0.202580D+01  0.975455D+00 -0.165755D+02 -0.903395D+01  0.191513D+01
      3  -0.822081D-01 -0.659737D+01  0.555008D+01  0.341909D+01 -0.287649D+00
      4  -0.372963D+01  0.187879D+02  0.103318D+02  0.475911D+00  0.986466D+00
      5  -0.558477D+01  0.496471D+00  0.957413D+00  0.325102D+01  0.247197D+01
      6  -0.563468D+01  0.362304D+01 -0.133053D+02  0.543464D+01 -0.396275D-01
                26            27            28            29            30 
      1   0.411945D+01 -0.145983D+02 -0.217284D+02  0.914888D+01  0.275581D+01
      2  -0.109634D+02  0.322591D+00  0.135920D+02 -0.526022D+01 -0.187144D+00
      3   0.684392D+01  0.142757D+02  0.813644D+01 -0.388866D+01 -0.256867D+01
      4   0.329207D+01  0.951706D+01 -0.132050D+02  0.117724D+02  0.392442D+00
      5   0.806533D+01  0.797235D+01  0.468401D+01 -0.158482D+01 -0.112227D+01
      6   0.141288D+02  0.619787D+01 -0.354445D+01 -0.736030D-02 -0.284169D+01
                31            32            33            34            35 
      1  -0.169877D+01 -0.139782D+01 -0.117570D+00  0.878882D+01 -0.113158D+01
      2   0.709864D+01  0.771161D+01  0.195063D+01 -0.132391D+01 -0.382425D+00
      3  -0.539988D+01 -0.631378D+01 -0.183306D+01 -0.746491D+01  0.151400D+01
      4  -0.325133D+01  0.788519D+01  0.680488D+00 -0.471256D+01  0.104134D+01
      5  -0.301265D+01 -0.801031D+00 -0.919519D+00  0.423638D+01 -0.396763D+00
      6   0.503607D+01  0.237591D+01  0.185294D+01 -0.147092D+01  0.698764D+01
                36            37            38            39            40 
      1  -0.958849D+01 -0.154499D+02 -0.250215D+02 -0.477489D+01 -0.775942D+01
      2  -0.287012D+01  0.113244D+02  0.180304D+02  0.286184D+01 -0.173387D+01
      3   0.124586D+02  0.412552D+01  0.699111D+01  0.191305D+01  0.949329D+01
      4  -0.302088D+01 -0.386021D+01 -0.508929D+01  0.213037D+01  0.281429D+01
      5   0.113458D+01 -0.832254D+00  0.233293D+01 -0.142545D+01  0.502963D+01
      6  -0.759097D+00  0.665428D+01  0.401438D+01  0.292872D+01 -0.610586D+01
                41            42            43            44            45 
      1  -0.991551D+01  0.307129D+01 -0.279847D+00  0.575588D+01 -0.103492D+02
      2   0.103774D+02  0.377066D+00 -0.109695D+01 -0.406092D+01  0.898313D+00
      3  -0.461888D+00 -0.344836D+01  0.137679D+01 -0.169496D+01  0.945086D+01
      4  -0.537306D+01 -0.193472D+01  0.117765D+01  0.226547D+00 -0.194085D+01
      5  -0.161296D+01 -0.142348D+01  0.531042D+01 -0.336723D+01  0.316292D+00
      6   0.292411D+00  0.256143D+01  0.352685D+00  0.889344D+01 -0.176115D+01
                46            47            48            49            50 
      1   0.151625D+02  0.161601D+02 -0.124502D+01 -0.197367D+02  0.141640D+02
      2  -0.134271D+02 -0.106959D+02 -0.893359D+00  0.164656D+02 -0.202705D+02
      3  -0.173533D+01 -0.546419D+01  0.213838D+01  0.327112D+01  0.610646D+01
      4   0.456563D+01 -0.160654D+02 -0.583450D+01  0.126725D+02 -0.153162D+01
      5   0.373273D+01 -0.499502D+01 -0.421141D+01  0.115706D+01  0.478250D+01
      6  -0.708289D+01  0.225567D+01  0.452430D+00  0.375382D+01 -0.118569D+02
                51            52            53            54            55 
      1   0.383733D+01 -0.607407D+01 -0.103338D+01 -0.723643D+01  0.209741D+02
      2  -0.763368D+01  0.808112D+01 -0.767799D+01 -0.433089D+01 -0.101460D+02
      3   0.379635D+01 -0.200706D+01  0.871138D+01  0.115673D+02 -0.108281D+02
      4   0.503095D+01 -0.221182D+01  0.101905D+02 -0.138644D+02  0.132801D+02
      5  -0.982628D+01  0.862871D+01 -0.129211D+02 -0.763554D+01 -0.202949D+01
      6   0.577427D+01 -0.452430D+01  0.132239D+02  0.349523D+01  0.350070D+01
                56            57            58            59            60 
      1  -0.542420D+01  0.356554D+01 -0.485568D+01 -0.568655D+01  0.415764D+01
      2   0.308747D+01 -0.172152D+01 -0.438061D+00  0.486151D+01 -0.457948D+01
      3   0.233673D+01 -0.184402D+01  0.529375D+01  0.825040D+00  0.421840D+00
      4  -0.136213D+02  0.303410D+01 -0.260334D+02 -0.560278D+01  0.612747D+01
      5   0.358529D+01 -0.117884D+02  0.594258D+01  0.754619D+01  0.161618D+02
      6  -0.194261D+01  0.868251D+01  0.280030D+01 -0.426486D+01 -0.139490D+02
                61            62            63            64            65 
      1  -0.667640D+01  0.667089D+01  0.190429D+01 -0.357102D+02 -0.130894D+02
      2   0.243872D-01  0.732530D+00 -0.137193D+01  0.113841D+02  0.980665D+01
      3   0.665201D+01 -0.740342D+01 -0.532366D+00  0.243261D+02  0.328279D+01
      4   0.125220D+02 -0.124274D+01  0.245331D+02 -0.168458D+02  0.112667D+01
      5  -0.257248D+02  0.222887D+02  0.563596D+01 -0.109167D+02  0.613452D-02
      6   0.198963D+02 -0.168007D+02 -0.904485D+01 -0.392445D+01  0.596564D+00
                66            67            68            69            70 
      1  -0.117447D+02 -0.103729D+02  0.680779D+01  0.372680D-01 -0.218669D+02
      2   0.732862D+01  0.942443D+01  0.909743D+00 -0.635399D+01  0.920881D+01
      3   0.441606D+01  0.948496D+00 -0.771754D+01  0.631673D+01  0.126581D+02
      4  -0.320869D+01  0.442881D+01  0.140524D+02 -0.401677D+01 -0.727342D+01
      5   0.317988D+01  0.239592D+01 -0.653134D+01 -0.668447D+01 -0.147430D+01
      6   0.231123D+00 -0.220746D+01 -0.205158D+01 -0.386565D+01 -0.359167D+01
                71            72            73            74            75 
      1  -0.193738D+01  0.621770D+01  0.414014D+01  0.116322D+02  0.857370D+01
      2  -0.952554D+01  0.126706D+02  0.354969D+01 -0.481091D+01 -0.734205D+01
      3   0.114629D+02 -0.188883D+02 -0.768983D+01 -0.682129D+01 -0.123166D+01
      4   0.202984D+01 -0.120902D+02  0.251071D+01  0.340834D+00 -0.316826D+01
      5  -0.109950D+02  0.258277D+02 -0.984164D-01 -0.497562D+01 -0.733060D+01
      6  -0.766566D+00  0.175263D+02 -0.442053D+01 -0.894845D+01 -0.787567D+01
                76            77            78            79            80 
      1   0.218541D+02  0.285069D+02 -0.764488D+01  0.148247D+02 -0.663571D+01
      2  -0.192654D+02 -0.418575D+02  0.139853D+02 -0.674016D+01  0.199194D+02
      3  -0.258876D+01  0.133506D+02 -0.634043D+01 -0.808450D+01 -0.132836D+02
      4  -0.299994D+01 -0.113006D+02  0.142285D+01 -0.713226D+01 -0.227381D+01
      5  -0.731974D+01  0.244602D+01 -0.200479D+01 -0.123549D+02 -0.101189D+02
      6  -0.315843D+01  0.125314D+02 -0.612269D+01 -0.172582D+02 -0.192114D+02
                81            82            83            84            85 
      1   0.124959D+02  0.398039D+02  0.214043D+02  0.232661D+01  0.161402D+02
      2  -0.779452D+01 -0.131248D+02 -0.390363D+01 -0.101772D+01  0.215657D+01
      3  -0.470142D+01 -0.266792D+02 -0.175006D+02 -0.130888D+01 -0.182967D+02
      4  -0.113026D+02  0.435956D+02  0.328223D+02  0.241254D+01  0.375191D+02
      5  -0.154943D+02  0.509921D+01  0.268900D+01  0.655827D+01  0.553947D+01
      6  -0.202753D+02  0.617801D+00  0.503436D+00  0.295531D+01  0.254629D+01
                86            87            88            89            90 
      1   0.110508D+02  0.161262D+01  0.194341D-01  0.338331D+00  0.528875D+00
      2   0.780312D+01 -0.442764D+00  0.135750D+01  0.137357D+01  0.359861D+00
      3  -0.188539D+02 -0.116986D+01 -0.137693D+01 -0.171190D+01 -0.888737D+00
      4   0.388245D+02  0.445497D+01  0.425239D+01  0.468488D+01  0.257433D+01
      5   0.518458D+01  0.471201D+01  0.223695D+01  0.148236D+01  0.723344D+00
      6   0.245590D+01  0.429175D+01  0.145676D+01  0.175507D+01  0.117263D+01
                91            92            93            94            95 
      1   0.937657D+02 -0.169139D+02 -0.100304D+02 -0.150794D+02  0.113819D+02
      2  -0.529202D+02  0.859759D+01  0.678855D+01  0.656992D+01 -0.478706D+01
      3  -0.408455D+02  0.831634D+01  0.324183D+01  0.850947D+01 -0.659479D+01
      4  -0.267366D+02  0.127758D+02  0.294374D+01  0.201823D+02 -0.946876D+01
      5  -0.152532D+02  0.280414D+01  0.105960D+02  0.548767D+01 -0.301206D+01
      6   0.879055D-01 -0.631961D+00 -0.123524D+01 -0.175205D+01  0.672932D+00
                96            97            98            99           100 
      1   0.299823D+01 -0.116249D+02  0.371101D+01  0.342871D+01 -0.401233D+01
      2  -0.212961D+01  0.647807D+01 -0.205577D+01 -0.217729D+01  0.569271D+01
      3  -0.868613D+00  0.514684D+01 -0.165523D+01 -0.125141D+01 -0.168037D+01
      4  -0.285823D+01  0.624473D+01 -0.303447D+01 -0.198663D+01 -0.172825D+00
      5  -0.268779D+01  0.437729D+01 -0.989851D+00 -0.243100D+01  0.102971D+00
      6   0.214890D+01 -0.758117D+00  0.100088D+01  0.725016D+00  0.218331D+01
               101           102           103           104           105 
      1   0.708817D+01  0.246483D+01  0.393446D+01 -0.398367D+02 -0.940432D+01
      2  -0.726307D+01 -0.178958D+01 -0.397048D+01  0.543065D+02  0.964808D+01
      3   0.174903D+00 -0.675254D+00  0.360175D-01 -0.144698D+02 -0.243765D+00
      4   0.754417D+01  0.128658D+01  0.537750D+01  0.115492D+02  0.298358D+01
      5   0.103941D+01  0.150176D+01  0.986761D+00  0.380149D+01  0.180053D+01
      6  -0.312635D+01 -0.158488D+01 -0.949832D+00  0.166832D+02  0.100989D+02
               106           107           108           109           110 
      1   0.112209D+01 -0.923285D+01 -0.388476D+01  0.180692D+01 -0.264805D+01
      2  -0.114619D+01  0.111761D+02  0.425417D+01  0.363775D+01 -0.354468D+01
      3   0.240962D-01 -0.194325D+01 -0.369414D+00 -0.544468D+01  0.619273D+01
      4   0.125423D+01  0.191830D+01 -0.646671D+00 -0.127043D+02  0.172188D+02
      5   0.677573D+00  0.386128D+00 -0.212283D+00 -0.289494D+01  0.371240D+01
      6  -0.318707D+00  0.639902D+01  0.389310D+01  0.262852D+01 -0.300518D+01
               111           112           113           114           115 
      1  -0.345387D+00  0.276387D+01 -0.240216D+02 -0.512120D+01  0.144962D+00
      2  -0.327139D+00 -0.101056D+02  0.433142D+02  0.639358D+01 -0.174347D+01
      3   0.672526D+00  0.734174D+01 -0.192926D+02 -0.127238D+01  0.159851D+01
      4   0.392131D+01  0.190210D+02 -0.427328D+02 -0.885490D+01  0.491504D+01
      5   0.344348D+01  0.389198D+01 -0.799059D+01 -0.511296D+01  0.151254D+01
      6  -0.214438D+01 -0.439743D+01  0.137988D+02  0.930323D+01 -0.185443D+01
               116           117           118           119           120 
      1  -0.427614D+01 -0.296400D+01  0.465500D+01 -0.208433D+01 -0.332975D+01
      2   0.733942D+01  0.365578D+01 -0.379486D+01  0.122253D+01  0.262678D+01
      3  -0.306328D+01 -0.691778D+00 -0.860144D+00  0.861803D+00  0.702964D+00
      4  -0.100643D+02 -0.280740D+01 -0.907172D+01  0.990307D+01  0.477458D+01
      5  -0.253342D+01 -0.163117D+01 -0.859331D+01  0.426202D+01  0.116783D+02
      6   0.566586D+01  0.375730D+01  0.575721D+01 -0.277173D+01 -0.455587D+01
               121           122           123           124           125 
      1   0.951349D+00 -0.617294D+01 -0.566554D+01 -0.418094D+00 -0.571908D+01
      2  -0.102981D+01  0.614698D+01  0.323700D+01  0.374397D+01  0.311957D+00
      3   0.784612D-01  0.259583D-01  0.242854D+01 -0.332588D+01  0.540712D+01
      4   0.146827D+02 -0.146624D+02 -0.982502D+01  0.835460D+01 -0.107015D+02
      5   0.631678D+01 -0.987124D+01 -0.130625D+02  0.169874D+02 -0.130489D+02
      6  -0.619000D+01  0.129912D+02  0.152103D+02 -0.102351D+02  0.147914D+02
               126           127           128           129           130 
      1  -0.984168D+01 -0.576065D+02  0.233403D+02 -0.524874D+01  0.132998D+02
      2  -0.577324D+01  0.225192D+02 -0.196781D+02  0.105509D+01 -0.103272D+02
      3   0.156149D+02  0.350873D+02 -0.366217D+01  0.419364D+01 -0.297262D+01
      4  -0.135053D+02  0.304361D+02  0.593150D+01 -0.492986D+01  0.129000D+02
      5  -0.232590D+02 -0.693686D+01 -0.186525D+01  0.111476D+02 -0.571323D+01
      6   0.201063D+02 -0.182040D+01  0.805370D+01 -0.595195D+01  0.701313D+01
               131           132           133           134           135 
      1   0.234627D+02 -0.113257D+01  0.340511D+01 -0.288455D+01  0.783019D+01
      2  -0.256312D+02  0.161996D+02 -0.327857D+01  0.126387D+02  0.805487D+01
      3   0.216843D+01 -0.150670D+02 -0.126533D+00 -0.975411D+01 -0.158851D+02
      4   0.582673D+01 -0.466289D+01 -0.171018D+02  0.206853D+01 -0.229844D+02
      5  -0.664373D+00 -0.155198D+02  0.196961D+02 -0.194624D+02 -0.321629D+01
      6   0.913198D+01  0.565370D+01 -0.137492D+02  0.825216D+01 -0.452123D+01
               136           137           138           139           140 
      1   0.462003D+01  0.354953D+01 -0.424828D+01  0.152993D+01 -0.527875D+01
      2  -0.479724D+01 -0.236274D+01  0.253012D+01 -0.136803D+01  0.125844D+01
      3   0.177212D+00 -0.118679D+01  0.171816D+01 -0.161907D+00  0.402031D+01
      4   0.414547D+01  0.160230D+01 -0.321686D+01  0.444614D+01  0.368558D+01
      5  -0.546585D+01 -0.272378D+01  0.688191D+01 -0.352589D+01 -0.524858D+01
      6  -0.291263D+01 -0.524730D+00 -0.589946D-01 -0.240189D+01 -0.652800D+01
               141           142           143           144           145 
      1   0.357470D+01 -0.336417D+01  0.451208D+01 -0.139087D+02  0.679459D+02
      2  -0.197051D+00  0.824719D+01  0.243845D+01 -0.203132D+02 -0.327551D+02
      3  -0.337765D+01 -0.488302D+01 -0.695053D+01  0.342219D+02 -0.351908D+02
      4  -0.626064D+01 -0.627121D+01 -0.962732D+01  0.126670D+02  0.271111D+02
      5   0.691520D+01  0.158675D+02  0.114869D+02 -0.387441D+02  0.193491D+01
      6   0.113762D+02  0.646494D+01  0.105364D+02 -0.228135D+02  0.852647D+00
               146           147           148           149           150 
      1   0.104822D+02  0.622956D+01  0.570937D+01  0.598049D+01  0.118973D+00
      2  -0.330314D+01 -0.209995D+01 -0.202851D+00 -0.567240D+00  0.137209D+01
      3  -0.717909D+01 -0.412961D+01 -0.550652D+01 -0.541325D+01 -0.149106D+01
      4   0.146618D+02  0.142104D+01  0.131058D+02  0.543540D+01  0.193711D+01
      5  -0.509759D+00  0.907541D+01 -0.256509D+00  0.159312D+01  0.164042D+01
      6  -0.337709D+00  0.260199D+01 -0.219884D+00  0.921731D+00  0.203495D+01
               151           152           153           154           155 
      1   0.158253D+02  0.221669D+01  0.626132D+01 -0.537491D+00  0.500228D+01
      2  -0.758349D+01  0.106122D+01 -0.531728D+01  0.348010D+01 -0.564065D+01
      3  -0.824183D+01 -0.327791D+01 -0.944044D+00 -0.294261D+01  0.638373D+00
      4   0.708736D+01  0.458563D+01  0.463551D+01  0.139950D+01  0.835596D+01
      5   0.109256D+02  0.322994D+01  0.210795D+01 -0.550684D+00 -0.638596D+00
      6   0.303102D+01  0.193881D+01 -0.310176D+00 -0.261502D+01  0.151433D+01
               156           157           158           159           160 
      1  -0.229841D+01 -0.516049D+01 -0.418914D+02  0.773672D+01 -0.111438D+01
      2   0.170488D+01  0.904150D+01  0.676797D+02 -0.121756D+02 -0.160162D+01
      3   0.593528D+00 -0.388101D+01 -0.257883D+02  0.443887D+01  0.271600D+01
      4  -0.171545D+01  0.101078D+02  0.189290D+02 -0.314029D+01 -0.332980D+01
      5   0.279026D+01 -0.149227D+01 -0.295649D+01  0.270526D+01  0.388388D+01
      6   0.620461D-01 -0.263086D+01 -0.164472D+02  0.104609D+02  0.483103D+01
               161           162           163           164           165 
      1   0.138139D+02 -0.891717D+01  0.180986D+01 -0.119957D+01 -0.246755D+00
      2  -0.207361D+02  0.964771D+01 -0.357536D+01  0.127448D+01  0.367765D+00
      3   0.692215D+01 -0.730537D+00  0.176549D+01 -0.749116D-01 -0.121010D+00
      4  -0.579705D+01  0.425778D+01  0.785302D+01  0.714390D+01  0.668200D+01
      5   0.433595D+01 -0.219427D+00  0.736321D+01  0.527541D+01  0.105038D+02
      6   0.162793D+02 -0.637042D+01  0.718435D+01  0.482673D+01  0.722640D+01
               166           167           168           169           170 
      1  -0.495254D+01 -0.118356D+02 -0.513903D+01 -0.513356D+01 -0.120297D+02
      2   0.637662D+01  0.136647D+02  0.430681D+01  0.373092D+00  0.692187D+01
      3  -0.142408D+01 -0.182910D+01  0.832223D+00  0.476047D+01  0.510780D+01
      4   0.556566D+01  0.845823D+01  0.522359D+01  0.129607D+02  0.111496D+02
      5   0.282627D+01  0.520463D+01  0.428157D+01  0.144041D+02  0.124814D+02
      6   0.466156D+01  0.819550D+01  0.978929D+01  0.147017D+02  0.209157D+02
               171           172           173           174           175 
      1  -0.180160D+02  0.369319D+01 -0.104310D+01  0.556633D+01  0.284686D+01
      2   0.142086D+01 -0.398384D+01  0.175346D+01 -0.279565D+00 -0.214077D+01
      3   0.165951D+02  0.290652D+00 -0.710356D+00 -0.528677D+01 -0.706086D+00
      4   0.120657D+02 -0.570185D+00 -0.141967D+01 -0.710452D+00 -0.156873D+01
      5   0.213707D+02  0.258256D+01  0.111869D+01  0.537305D+00  0.438762D+01
      6   0.311191D+02  0.293593D+00 -0.156186D+01  0.206269D+01 -0.635655D+00
               176           177           178           179           180 
      1  -0.474725D+01 -0.299540D+01  0.504376D+01 -0.146686D+01 -0.136273D+02
      2  -0.330513D+00 -0.917732D+01 -0.342327D+01 -0.735533D+01 -0.180398D+02
      3   0.507776D+01  0.121727D+02 -0.162049D+01  0.882219D+01  0.316671D+02
      4   0.582450D+01  0.569584D+01 -0.190895D+01  0.745998D+01  0.765294D+01
      5   0.403796D+01  0.118128D+02  0.651994D+01  0.483688D+01  0.237143D+02
      6   0.175127D+01  0.659365D+00 -0.360497D+00  0.353111D+01 -0.551336D+01
               181           182           183           184           185 
      1   0.807272D+02 -0.145456D+02  0.215589D+01 -0.518536D+01  0.446529D+01
      2  -0.369281D+02  0.309606D+01 -0.328638D+01 -0.118532D+01  0.178042D+01
      3  -0.437991D+02  0.114496D+02  0.113050D+01  0.637067D+01 -0.624572D+01
      4  -0.450216D+02  0.204900D+02 -0.311783D+01  0.152635D+02 -0.996793D+01
      5   0.195927D+02 -0.492073D+01  0.117873D+02 -0.109045D+01  0.174276D+01
      6  -0.394470D+01  0.311678D+01 -0.489180D+01  0.131024D+01 -0.195719D+01
               186           187           188           189           190 
      1   0.244756D+00 -0.624093D+01  0.117849D+01  0.561494D+01 -0.411317D+00
      2  -0.117362D+01  0.770181D+00 -0.325988D+00 -0.475885D+01  0.388322D+01
      3   0.928860D+00  0.547074D+01 -0.852504D+00 -0.856097D+00 -0.347190D+01
      4   0.101535D+01  0.500769D+01 -0.247302D+01 -0.194343D+01 -0.151999D+01
      5  -0.355434D-01  0.940534D+01 -0.789099D+00  0.949676D+00 -0.706136D+00
      6   0.140459D+01 -0.328617D+01  0.134363D+01  0.399869D+00 -0.147824D+01
               191           192           193           194           195 
      1  -0.126066D+02  0.427257D+01 -0.881383D+01 -0.311820D+02  0.817753D+01
      2   0.138107D+02 -0.258391D+01  0.577178D+01  0.449894D+02 -0.820793D+01
      3  -0.120410D+01 -0.168866D+01  0.304206D+01 -0.138074D+02  0.303975D-01
      4  -0.165527D+01  0.129744D+01  0.602438D+01 -0.255749D+02  0.667967D+01
      5  -0.256472D+00 -0.200427D+01 -0.326493D+01  0.438241D+01 -0.401649D+01
      6  -0.622849D+01  0.440202D+01 -0.101604D+01 -0.193553D+02  0.110313D+02
               196           197           198 
      1   0.892093D+00  0.613239D+01 -0.737055D+01
      2  -0.447621D+00 -0.491099D+01  0.394698D+01
      3  -0.444472D+00 -0.122140D+01  0.342357D+01
      4   0.891572D+00  0.329656D+01 -0.147389D+01
      5   0.680969D+00 -0.215010D+01  0.274387D+01
      6   0.173256D+01  0.980666D+01 -0.543487D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 21:38:48 2021, MaxMem=  5637144576 cpu:           32000.4 elap:            4009.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.17810 -10.17293 -10.17178 -10.17108 -10.17084
 Alpha  occ. eigenvalues --  -10.17042 -10.17027 -10.17001 -10.16804 -10.16131
 Alpha  occ. eigenvalues --   -0.87419  -0.81574  -0.76376  -0.72750  -0.71265
 Alpha  occ. eigenvalues --   -0.65380  -0.61007  -0.57669  -0.56359  -0.50340
 Alpha  occ. eigenvalues --   -0.47883  -0.46032  -0.45110  -0.42877  -0.41672
 Alpha  occ. eigenvalues --   -0.40355  -0.39520  -0.38588  -0.36652  -0.35259
 Alpha  occ. eigenvalues --   -0.33954  -0.32982  -0.32810  -0.32371  -0.25120
 Alpha  occ. eigenvalues --   -0.23911
 Alpha virt. eigenvalues --   -0.01562  -0.00726   0.00519   0.01933   0.02012
 Alpha virt. eigenvalues --    0.03069   0.04094   0.04325   0.05464   0.06292
 Alpha virt. eigenvalues --    0.07077   0.07265   0.09065   0.09430   0.09977
 Alpha virt. eigenvalues --    0.10941   0.11761   0.12105   0.12782   0.12947
 Alpha virt. eigenvalues --    0.14127   0.14625   0.14872   0.15623   0.16030
 Alpha virt. eigenvalues --    0.17202   0.17706   0.17887   0.18728   0.19189
 Alpha virt. eigenvalues --    0.20008   0.20242   0.20791   0.20961   0.21251
 Alpha virt. eigenvalues --    0.21868   0.22185   0.22376   0.22883   0.23324
 Alpha virt. eigenvalues --    0.23590   0.24088   0.24753   0.25358   0.25983
 Alpha virt. eigenvalues --    0.26469   0.26863   0.27321   0.27620   0.28004
 Alpha virt. eigenvalues --    0.28640   0.28722   0.28918   0.30165   0.30565
 Alpha virt. eigenvalues --    0.30590   0.30877   0.31260   0.31707   0.32524
 Alpha virt. eigenvalues --    0.32631   0.33128   0.33246   0.33982   0.34565
 Alpha virt. eigenvalues --    0.34725   0.34962   0.35888   0.36245   0.36532
 Alpha virt. eigenvalues --    0.37203   0.37287   0.37363   0.38202   0.38535
 Alpha virt. eigenvalues --    0.39218   0.39388   0.39740   0.40365   0.41071
 Alpha virt. eigenvalues --    0.41793   0.41931   0.42480   0.43258   0.43629
 Alpha virt. eigenvalues --    0.44107   0.44462   0.45377   0.45560   0.45654
 Alpha virt. eigenvalues --    0.45957   0.46906   0.47060   0.47318   0.48195
 Alpha virt. eigenvalues --    0.48606   0.49109   0.49709   0.50712   0.51548
 Alpha virt. eigenvalues --    0.52047   0.52374   0.52860   0.53496   0.53971
 Alpha virt. eigenvalues --    0.54853   0.55495   0.56582   0.56970   0.57387
 Alpha virt. eigenvalues --    0.57721   0.59005   0.59744   0.60588   0.60913
 Alpha virt. eigenvalues --    0.61375   0.61614   0.62419   0.63067   0.63478
 Alpha virt. eigenvalues --    0.64447   0.64843   0.65119   0.65873   0.66073
 Alpha virt. eigenvalues --    0.66482   0.66582   0.67117   0.68174   0.68604
 Alpha virt. eigenvalues --    0.68888   0.69467   0.69762   0.70372   0.70478
 Alpha virt. eigenvalues --    0.70941   0.71210   0.71254   0.72594   0.73045
 Alpha virt. eigenvalues --    0.73595   0.73689   0.74478   0.74793   0.75480
 Alpha virt. eigenvalues --    0.75851   0.76367   0.76481   0.77444   0.77690
 Alpha virt. eigenvalues --    0.78264   0.78712   0.79447   0.80863   0.81656
 Alpha virt. eigenvalues --    0.82341   0.82773   0.83422   0.83548   0.84977
 Alpha virt. eigenvalues --    0.85289   0.86664   0.87768   0.88785   0.90882
 Alpha virt. eigenvalues --    0.91278   0.92125   0.92670   0.94535   0.96310
 Alpha virt. eigenvalues --    0.97632   0.97990   0.98779   0.99672   1.00749
 Alpha virt. eigenvalues --    1.01049   1.02922   1.04673   1.05454   1.06443
 Alpha virt. eigenvalues --    1.09840   1.11682   1.12310   1.14460   1.16583
 Alpha virt. eigenvalues --    1.19308   1.22149   1.23692   1.24232   1.25308
 Alpha virt. eigenvalues --    1.25589   1.27450   1.28978   1.29788   1.30626
 Alpha virt. eigenvalues --    1.32305   1.32821   1.34979   1.35644   1.36340
 Alpha virt. eigenvalues --    1.37075   1.40124   1.40675   1.44362   1.45631
 Alpha virt. eigenvalues --    1.46798   1.47436   1.48872   1.49625   1.50575
 Alpha virt. eigenvalues --    1.53300   1.54840   1.55376   1.57430   1.59131
 Alpha virt. eigenvalues --    1.62466   1.64896   1.65411   1.66214   1.70013
 Alpha virt. eigenvalues --    1.73185   1.74681   1.76885   1.77139   1.78065
 Alpha virt. eigenvalues --    1.79016   1.81999   1.83173   1.83596   1.84559
 Alpha virt. eigenvalues --    1.85962   1.86500   1.87075   1.88060   1.88570
 Alpha virt. eigenvalues --    1.89090   1.89767   1.91360   1.92327   1.93704
 Alpha virt. eigenvalues --    1.94331   1.96253   1.96701   1.97624   1.99571
 Alpha virt. eigenvalues --    2.00878   2.03470   2.04020   2.06760   2.07650
 Alpha virt. eigenvalues --    2.07782   2.10433   2.11994   2.13445   2.19121
 Alpha virt. eigenvalues --    2.19758   2.20770   2.21316   2.22608   2.26017
 Alpha virt. eigenvalues --    2.26601   2.28613   2.30959   2.31956   2.33003
 Alpha virt. eigenvalues --    2.34231   2.35047   2.38406   2.41525   2.43051
 Alpha virt. eigenvalues --    2.44434   2.45692   2.48725   2.49796   2.51898
 Alpha virt. eigenvalues --    2.53141   2.55271   2.56509   2.57322   2.59106
 Alpha virt. eigenvalues --    2.61001   2.61530   2.62268   2.65690   2.66455
 Alpha virt. eigenvalues --    2.68097   2.68583   2.69576   2.70387   2.71492
 Alpha virt. eigenvalues --    2.72726   2.74049   2.76824   2.77481   2.78038
 Alpha virt. eigenvalues --    2.80509   2.80831   2.81164   2.82987   2.85032
 Alpha virt. eigenvalues --    2.85966   2.87445   2.87691   2.89340   2.91374
 Alpha virt. eigenvalues --    2.92173   2.92864   2.93298   2.94372   2.95309
 Alpha virt. eigenvalues --    3.00083   3.00162   3.02723   3.04371   3.05658
 Alpha virt. eigenvalues --    3.07157   3.09869   3.11128   3.13554   3.14711
 Alpha virt. eigenvalues --    3.15702   3.17820   3.19048   3.20851   3.21272
 Alpha virt. eigenvalues --    3.23284   3.25001   3.25891   3.27443   3.28665
 Alpha virt. eigenvalues --    3.29280   3.29494   3.30690   3.33007   3.33896
 Alpha virt. eigenvalues --    3.34701   3.35902   3.37633   3.38595   3.39165
 Alpha virt. eigenvalues --    3.39443   3.40007   3.42238   3.43851   3.44813
 Alpha virt. eigenvalues --    3.46361   3.47781   3.48082   3.48970   3.49771
 Alpha virt. eigenvalues --    3.50520   3.51912   3.54186   3.55150   3.55800
 Alpha virt. eigenvalues --    3.56805   3.59137   3.60617   3.61216   3.62925
 Alpha virt. eigenvalues --    3.64254   3.65891   3.67954   3.69322   3.69842
 Alpha virt. eigenvalues --    3.70708   3.74997   3.78269   3.80720   3.81191
 Alpha virt. eigenvalues --    3.83524   3.86524   3.88620   3.90224   3.92796
 Alpha virt. eigenvalues --    3.94466   3.95751   4.00296   4.02337   4.06145
 Alpha virt. eigenvalues --    4.08214   4.09171   4.10557   4.12494   4.13033
 Alpha virt. eigenvalues --    4.14346   4.16685   4.19559   4.22204   4.24207
 Alpha virt. eigenvalues --    4.24372   4.26134   4.28205   4.29485   4.31413
 Alpha virt. eigenvalues --    4.31981   4.33692   4.36581   4.37893   4.43238
 Alpha virt. eigenvalues --    4.45075   4.45712   4.47258   4.49767   4.52577
 Alpha virt. eigenvalues --    4.56580   4.58585   4.65359   4.68065   4.70649
 Alpha virt. eigenvalues --    4.73270   4.77947   4.80750   4.83620   4.84629
 Alpha virt. eigenvalues --    4.90367   4.94250   5.01036   5.02374   5.04023
 Alpha virt. eigenvalues --    5.09245   5.16675   5.18514   5.28490   5.31803
 Alpha virt. eigenvalues --    5.35339   5.40292   5.59956   5.67175   5.79961
 Alpha virt. eigenvalues --   22.57752  22.62198  22.71001  22.73441  22.79891
 Alpha virt. eigenvalues --   22.83216  22.93682  23.01011  23.08741  23.66743
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.894840   0.494855   0.138912  -0.232570  -0.030138  -0.079400
     2  C    0.494855   5.682938  -0.108974   0.019441  -0.187589   0.115250
     3  C    0.138912  -0.108974   6.611382   0.032850  -0.395616   0.243850
     4  C   -0.232570   0.019441   0.032850   7.231475   0.302364  -0.408924
     5  C   -0.030138  -0.187589  -0.395616   0.302364   6.744597  -0.035579
     6  C   -0.079400   0.115250   0.243850  -0.408924  -0.035579   6.859654
     7  C   -0.008094   0.038051  -0.369937  -0.612926  -0.080004  -0.062246
     8  C   -0.013268  -0.006026   0.047010   0.164624  -0.005478   0.075419
     9  C    0.037878   0.049905  -0.060649  -0.174737  -0.394597  -0.403084
    10  H    0.363072  -0.081026  -0.090112   0.008209   0.006934   0.010338
    11  H   -0.089201   0.369493   0.008690   0.000662   0.018090  -0.091612
    12  H   -0.091569   0.010003   0.372504  -0.134716   0.017641  -0.000559
    13  H    0.017569  -0.068884   0.002246   0.028813  -0.148941   0.359244
    14  H   -0.002081  -0.001134  -0.012261  -0.087042  -0.016798  -0.003343
    15  C    0.018184  -0.002114   0.054311   0.035516  -0.021148  -0.003773
    16  H   -0.000508  -0.000543   0.002811  -0.018867   0.005663   0.006357
    17  H   -0.000383  -0.000086   0.003837  -0.006576  -0.004278   0.004352
    18  H    0.000849  -0.000958  -0.000752  -0.011831  -0.056833  -0.021214
    19  H    0.001564   0.000272  -0.002559  -0.039666   0.004895  -0.030719
    20  H    0.000679  -0.000594   0.013239  -0.007249  -0.000568   0.000090
    21  H    0.000475  -0.000026   0.003675  -0.013695  -0.001217  -0.000151
    22  H    0.003108  -0.000225  -0.021500   0.006063   0.002645  -0.001925
               7          8          9         10         11         12
     1  C   -0.008094  -0.013268   0.037878   0.363072  -0.089201  -0.091569
     2  C    0.038051  -0.006026   0.049905  -0.081026   0.369493   0.010003
     3  C   -0.369937   0.047010  -0.060649  -0.090112   0.008690   0.372504
     4  C   -0.612926   0.164624  -0.174737   0.008209   0.000662  -0.134716
     5  C   -0.080004  -0.005478  -0.394597   0.006934   0.018090   0.017641
     6  C   -0.062246   0.075419  -0.403084   0.010338  -0.091612  -0.000559
     7  C    6.468047  -0.105812   0.104686   0.002128   0.000790  -0.017616
     8  C   -0.105812   5.760231  -0.080339  -0.000366   0.000019   0.005981
     9  C    0.104686  -0.080339   6.682469   0.001021  -0.000024  -0.003823
    10  H    0.002128  -0.000366   0.001021   0.490598  -0.002580  -0.005634
    11  H    0.000790   0.000019  -0.000024  -0.002580   0.488700  -0.000740
    12  H   -0.017616   0.005981  -0.003823  -0.005634  -0.000740   0.496124
    13  H   -0.004393   0.002817  -0.006906  -0.000865  -0.003900  -0.000054
    14  H    0.345866  -0.040239   0.020160  -0.000022   0.000024   0.007044
    15  C   -0.337771   0.051031   0.090781   0.000212  -0.000007  -0.006578
    16  H    0.005501   0.330407  -0.019384  -0.000039  -0.000012  -0.000062
    17  H    0.029460   0.360247   0.001202  -0.000002  -0.000002   0.000116
    18  H   -0.003380  -0.003592   0.409176   0.000033  -0.000244  -0.000026
    19  H    0.012562  -0.010126   0.355465   0.000020  -0.000034  -0.000183
    20  H   -0.053380  -0.000044  -0.015481  -0.000000  -0.000027  -0.000349
    21  H   -0.010290  -0.011796   0.003190   0.000007  -0.000002   0.000192
    22  H   -0.055014   0.003584   0.006420  -0.000093  -0.000007   0.002794
              13         14         15         16         17         18
     1  C    0.017569  -0.002081   0.018184  -0.000508  -0.000383   0.000849
     2  C   -0.068884  -0.001134  -0.002114  -0.000543  -0.000086  -0.000958
     3  C    0.002246  -0.012261   0.054311   0.002811   0.003837  -0.000752
     4  C    0.028813  -0.087042   0.035516  -0.018867  -0.006576  -0.011831
     5  C   -0.148941  -0.016798  -0.021148   0.005663  -0.004278  -0.056833
     6  C    0.359244  -0.003343  -0.003773   0.006357   0.004352  -0.021214
     7  C   -0.004393   0.345866  -0.337771   0.005501   0.029460  -0.003380
     8  C    0.002817  -0.040239   0.051031   0.330407   0.360247  -0.003592
     9  C   -0.006906   0.020160   0.090781  -0.019384   0.001202   0.409176
    10  H   -0.000865  -0.000022   0.000212  -0.000039  -0.000002   0.000033
    11  H   -0.003900   0.000024  -0.000007  -0.000012  -0.000002  -0.000244
    12  H   -0.000054   0.007044  -0.006578  -0.000062   0.000116  -0.000026
    13  H    0.478621  -0.000084  -0.000342  -0.000260   0.000107   0.001647
    14  H   -0.000084   0.654776  -0.052183  -0.028423   0.010228   0.000097
    15  C   -0.000342  -0.052183   6.558202   0.018284  -0.045089  -0.001039
    16  H   -0.000260  -0.028423   0.018284   0.483625  -0.023177  -0.012977
    17  H    0.000107   0.010228  -0.045089  -0.023177   0.477246   0.003210
    18  H    0.001647   0.000097  -0.001039  -0.012977   0.003210   0.462529
    19  H   -0.000161  -0.003649  -0.006535   0.004854  -0.004414  -0.003310
    20  H    0.000187  -0.010598   0.355014  -0.002483  -0.005564  -0.000756
    21  H   -0.000011  -0.007143   0.366919   0.002524  -0.000762   0.000088
    22  H    0.000021  -0.014046   0.373761   0.001573  -0.003999   0.000141
              19         20         21         22
     1  C    0.001564   0.000679   0.000475   0.003108
     2  C    0.000272  -0.000594  -0.000026  -0.000225
     3  C   -0.002559   0.013239   0.003675  -0.021500
     4  C   -0.039666  -0.007249  -0.013695   0.006063
     5  C    0.004895  -0.000568  -0.001217   0.002645
     6  C   -0.030719   0.000090  -0.000151  -0.001925
     7  C    0.012562  -0.053380  -0.010290  -0.055014
     8  C   -0.010126  -0.000044  -0.011796   0.003584
     9  C    0.355465  -0.015481   0.003190   0.006420
    10  H    0.000020  -0.000000   0.000007  -0.000093
    11  H   -0.000034  -0.000027  -0.000002  -0.000007
    12  H   -0.000183  -0.000349   0.000192   0.002794
    13  H   -0.000161   0.000187  -0.000011   0.000021
    14  H   -0.003649  -0.010598  -0.007143  -0.014046
    15  C   -0.006535   0.355014   0.366919   0.373761
    16  H    0.004854  -0.002483   0.002524   0.001573
    17  H   -0.004414  -0.005564  -0.000762  -0.003999
    18  H   -0.003310  -0.000756   0.000088   0.000141
    19  H    0.489372   0.008729   0.000556   0.000175
    20  H    0.008729   0.363721   0.005740   0.018355
    21  H    0.000556   0.005740   0.339318   0.015266
    22  H    0.000175   0.018355   0.015266   0.330344
 Mulliken charges:
               1
     1  C   -0.424772
     2  C   -0.322027
     3  C   -0.472956
     4  C   -0.081218
     5  C    0.275954
     6  C   -0.532026
     7  C    0.713772
     8  C   -0.524284
     9  C   -0.603329
    10  H    0.298166
    11  H    0.301926
    12  H    0.349512
    13  H    0.343527
    14  H    0.240849
    15  C   -1.445636
    16  H    0.245138
    17  H    0.204327
    18  H    0.239142
    19  H    0.222893
    20  H    0.331341
    21  H    0.307141
    22  H    0.332561
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.126606
     2  C   -0.020101
     3  C   -0.123443
     4  C   -0.081218
     5  C    0.275954
     6  C   -0.188499
     7  C    0.954621
     8  C   -0.074819
     9  C   -0.141294
    15  C   -0.474593
 Electronic spatial extent (au):  <R**2>=           1394.7321
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6261    Y=              0.1235    Z=             -0.0293  Tot=              0.6388
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -58.7571   YY=            -58.1411   ZZ=            -63.6482
   XY=              0.1069   XZ=             -0.6699   YZ=              1.3166
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.4250   YY=              2.0410   ZZ=             -3.4660
   XY=              0.1069   XZ=             -0.6699   YZ=              1.3166
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -7.0103  YYY=             -0.3623  ZZZ=             -0.7229  XYY=             -3.2489
  XXY=             -0.3604  XXZ=              1.4829  XZZ=              6.5733  YZZ=              1.6551
  YYZ=             -1.5527  XYZ=             -1.1486
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1163.6964 YYYY=           -570.4773 ZZZZ=           -173.8135 XXXY=              1.9191
 XXXZ=             -7.3771 YYYX=              1.2027 YYYZ=              5.9131 ZZZX=             -2.3300
 ZZZY=              0.5698 XXYY=           -294.4423 XXZZ=           -245.6244 YYZZ=           -130.5484
 XXYZ=              7.9651 YYXZ=             -2.3885 ZZXY=              0.7395
 N-N= 5.059460084488D+02 E-N=-1.912025569404D+03  KE= 3.863521112352D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 21:38:49 2021, MaxMem=  5637144576 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28257933D-01 4.59182780D-02-1.27765492D-02
 Polarizability= 1.37576691D+02 1.42875506D+00 1.17519961D+02
                -2.29571087D+00 5.20228097D+00 7.75956099D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.1400    1.1400        0.8331    0.8348
 2     -1.1400   -1.1400       -2.6713   -2.6703      -11.6319  -11.6368
 3     -0.8331   -0.8348       32.6017   32.6043        2.6784    2.6703
 4      2.6713    2.6703       -0.0000    0.0000       -0.8399   -0.8348
 5    -20.9698  -20.9674        0.8399    0.8348        1.1348    1.1400
 6     -2.6784   -2.6703       -1.1348   -1.1400        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.4199   -3.4199        2.5044    2.5044
 2      8.0109    8.0109        0.0000    0.0000        2.5044    2.5044
 3      8.0109    8.0109       -3.4199   -3.4199       -0.0000    0.0000
 4     -3.4199   -3.4199       -8.0109   -8.0109      -34.9105  -34.9105
 5     -2.5044   -2.5044       97.8128   97.8128        8.0109    8.0109
 6    -62.9023  -62.9023        2.5044    2.5044        3.4199    3.4199
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0360    0.0000       -4.6012   -4.5599       -3.4019   -3.3392
 2      4.5767    4.5599       10.5498   10.6811       46.6680   46.5474
 3      3.5146    3.3392     -130.3160 -130.4171      -10.6941  -10.6811
 4    -10.6463  -10.6811       -0.0063    0.0000        3.3707    3.3392
 5     83.8499   83.8697       -3.3028   -3.3392       -4.6024   -4.5599
 6     10.8988   10.6811        4.8755    4.5599       -0.1473    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0752    0.0000        3.9154    4.0452       -8.0935   -8.1891
 2     -4.0372   -4.0452       49.0901   48.7727       36.6750   36.5861
 3      8.1694    8.1891       18.1990   18.4804      -48.8651  -48.7727
 4    -48.8096  -48.7727        0.1511    0.0000        8.0781    8.1891
 5    -55.5933  -55.0665       -9.0700   -8.1891        4.2411    4.0452
 6     48.9104   48.7727       -4.1316   -4.0452        0.0796    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.8918   -6.7229       20.6958   20.4866       15.8022   15.8436
 2    -75.1705  -75.0685       21.4599   21.3495       15.7564   15.8436
 3    -75.1980  -75.0685       20.6722   20.4866       14.3343   14.4199
 4     -0.9544   -0.8630       67.9838   68.3456       34.5331   34.4335
 5     -1.2315   -1.4238       36.5315   36.1425      -68.3948  -68.3456
 6    -70.8689  -70.5760        0.8576    1.4238        1.1949    0.8630
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0005    0.0006    2.4026    5.2078    8.5405
 Low frequencies ---  106.0399  132.0549  212.3502
 Diagonal vibrational polarizability:
        1.0892232       1.0718862       6.1129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.0370               132.0531               212.3501
 Red. masses --      2.7203                 2.8873                 2.2959
 Frc consts  --      0.0180                 0.0297                 0.0610
 IR Inten    --      0.0022                 0.5622                 1.6550
 RamAct Fr= 1--      2.9146                 3.7635                 1.2054
  Dep-P Fr= 1--      0.7444                 0.7329                 0.5983
  Dep-U Fr= 1--      0.8535                 0.8459                 0.7486
 Alpha2 Fr= 1--      0.0003                 0.0011                 0.0034
 Beta2  Fr= 1--      0.4146                 0.5306                 0.1504
 AlphaG Fr= 1--      0.0011                 0.0008                 0.0053
 Gamma2 Fr= 1--      1.5133                 0.5629                -0.3373
 Delta2 Fr= 1--      0.8359                 0.0083                 0.0701
 Raman1 Fr= 1--      11.658                 15.054                  4.822
 ROA1   Fr= 1--     172.022                 54.304                -30.138
 CID1   Fr= 1--      14.755                  3.607                 -6.250
 Raman2 Fr= 1--       4.975                  6.367                  1.805
 ROA2   Fr= 1--      29.631                 13.443                 -8.656
 CID2   Fr= 1--       5.956                  2.111                 -4.796
 Raman3 Fr= 1--       9.950                 12.734                  3.610
 ROA3   Fr= 1--     172.022                 54.304                -30.138
 CID3   Fr= 1--      17.288                  4.265                 -8.349
 RC180  Fr= 1--       0.707                  0.692                  0.497
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.10    -0.04   0.04  -0.06     0.03  -0.03   0.14
     2   6     0.02  -0.00   0.05    -0.04   0.06  -0.17     0.02  -0.00  -0.01
     3   6    -0.03   0.01  -0.14    -0.03  -0.02   0.11     0.02  -0.02   0.04
     4   6    -0.00  -0.03  -0.04    -0.01  -0.04   0.15    -0.00   0.01  -0.10
     5   6     0.03  -0.04   0.06    -0.01  -0.03   0.10     0.01   0.01  -0.08
     6   6     0.04  -0.03   0.13    -0.02   0.03  -0.06     0.01   0.02  -0.13
     7   6    -0.00  -0.03   0.00    -0.01  -0.02   0.02     0.00   0.02  -0.07
     8   6    -0.05  -0.04  -0.15    -0.09  -0.01  -0.07    -0.01   0.03  -0.03
     9   6     0.05  -0.07   0.02     0.01  -0.05   0.12     0.05  -0.08   0.17
    10   1    -0.04   0.06  -0.18    -0.06   0.06  -0.12     0.04  -0.07   0.30
    11   1     0.03   0.01   0.09    -0.05   0.11  -0.33     0.02  -0.01   0.00
    12   1    -0.06   0.02  -0.23    -0.04  -0.03   0.15     0.03  -0.04   0.12
    13   1     0.07  -0.05   0.22    -0.01   0.05  -0.14     0.00   0.03  -0.17
    14   1     0.05  -0.15   0.10    -0.11  -0.02  -0.01     0.06   0.02  -0.05
    15   6    -0.03   0.19   0.15     0.21   0.03  -0.07    -0.10   0.05  -0.00
    16   1    -0.27  -0.08  -0.16    -0.31  -0.00  -0.08    -0.17   0.11  -0.01
    17   1     0.02  -0.01  -0.35    -0.02   0.03  -0.27     0.04   0.01  -0.15
    18   1     0.03  -0.03   0.12     0.00   0.01   0.26     0.16   0.09   0.48
    19   1     0.16  -0.17   0.01     0.10  -0.21   0.12     0.03  -0.45   0.25
    20   1    -0.09   0.34   0.04     0.36   0.04  -0.05    -0.28   0.02  -0.02
    21   1    -0.02   0.21   0.22     0.19   0.05  -0.27    -0.08   0.13   0.15
    22   1    -0.01   0.20   0.30     0.27   0.02   0.03    -0.05   0.02  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    246.1990               290.6034               365.3570
 Red. masses --      1.0453                 2.8329                 2.6788
 Frc consts  --      0.0373                 0.1410                 0.2107
 IR Inten    --      0.0263                 1.0015                 0.4251
 RamAct Fr= 1--      0.0376                 0.6484                 0.6849
  Dep-P Fr= 1--      0.6596                 0.5237                 0.1828
  Dep-U Fr= 1--      0.7949                 0.6874                 0.3091
 Alpha2 Fr= 1--      0.0001                 0.0029                 0.0097
 Beta2  Fr= 1--      0.0050                 0.0743                 0.0353
 AlphaG Fr= 1--     -0.0004                -0.0039                 0.0015
 Gamma2 Fr= 1--     -0.0605                 0.3120                -1.0446
 Delta2 Fr= 1--      0.0332                 0.0553                -0.1890
 Raman1 Fr= 1--       0.150                  2.594                  2.740
 ROA1   Fr= 1--      -4.742                 31.725               -106.330
 CID1   Fr= 1--     -31.526                 12.231                -38.810
 Raman2 Fr= 1--       0.060                  0.891                  0.423
 ROA2   Fr= 1--      -1.716                  7.047                -23.559
 CID2   Fr= 1--     -28.707                  7.905                -55.631
 Raman3 Fr= 1--       0.120                  1.783                  0.847
 ROA3   Fr= 1--      -4.742                 31.725               -106.330
 CID3   Fr= 1--     -39.659                 17.793               -125.540
 RC180  Fr= 1--       0.590                  0.375                 -0.382
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.09   0.04   0.05    -0.03   0.02  -0.01
     2   6    -0.00   0.02   0.00    -0.04   0.05   0.10     0.00   0.05  -0.12
     3   6    -0.02  -0.00   0.00    -0.11  -0.00  -0.10    -0.03  -0.08   0.16
     4   6     0.00  -0.02   0.01    -0.03  -0.07  -0.10    -0.00  -0.06  -0.04
     5   6     0.00  -0.01   0.01    -0.03  -0.06  -0.12     0.03  -0.09   0.06
     6   6     0.01   0.00   0.01     0.00   0.01  -0.07     0.06  -0.05   0.11
     7   6     0.01  -0.01   0.01     0.03  -0.03   0.00    -0.00   0.02  -0.15
     8   6    -0.01  -0.00  -0.00     0.05  -0.02   0.14     0.07   0.02   0.06
     9   6    -0.01   0.00  -0.02    -0.05  -0.06   0.02    -0.01  -0.03  -0.01
    10   1    -0.02   0.03  -0.02    -0.11   0.06   0.15    -0.06   0.06  -0.05
    11   1    -0.00   0.03  -0.00    -0.01   0.07   0.24    -0.00   0.13  -0.29
    12   1    -0.03  -0.00  -0.00    -0.20  -0.02  -0.13    -0.07  -0.12   0.29
    13   1     0.03   0.01   0.01     0.09   0.03  -0.07     0.13  -0.05   0.20
    14   1     0.02   0.00   0.01     0.11  -0.01   0.01     0.04   0.04  -0.15
    15   6     0.02  -0.00   0.00     0.19   0.10   0.01    -0.08   0.14  -0.07
    16   1    -0.01  -0.02  -0.01     0.27   0.06   0.16     0.36   0.17   0.10
    17   1    -0.01   0.01  -0.01    -0.02  -0.07   0.34    -0.01  -0.10   0.33
    18   1    -0.03  -0.01  -0.05     0.00  -0.05   0.05    -0.11  -0.09  -0.11
    19   1    -0.00   0.04  -0.03    -0.19  -0.10   0.07    -0.03   0.12  -0.03
    20   1    -0.46  -0.30   0.09     0.30   0.21  -0.04    -0.18   0.28  -0.18
    21   1     0.10   0.51   0.23     0.18   0.19  -0.15    -0.07   0.14   0.05
    22   1     0.44  -0.24  -0.33     0.30   0.09   0.21    -0.09   0.16   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    413.0301               446.7862               536.0813
 Red. masses --      2.7330                 2.7308                 4.7337
 Frc consts  --      0.2747                 0.3212                 0.8015
 IR Inten    --      0.2925                 6.6577                 0.5122
 RamAct Fr= 1--      0.5587                 0.6936                11.1852
  Dep-P Fr= 1--      0.7460                 0.4134                 0.1877
  Dep-U Fr= 1--      0.8545                 0.5850                 0.3161
 Alpha2 Fr= 1--      0.0000                 0.0049                 0.1569
 Beta2  Fr= 1--      0.0796                 0.0676                 0.5893
 AlphaG Fr= 1--     -0.0005                 0.0052                 0.0055
 Gamma2 Fr= 1--      0.3286                 0.4292                -1.4140
 Delta2 Fr= 1--      0.0086                 0.1901                -0.0913
 Raman1 Fr= 1--       2.235                  2.774                 44.741
 ROA1   Fr= 1--      31.824                 47.284               -138.664
 CID1   Fr= 1--      14.240                 17.043                 -3.099
 Raman2 Fr= 1--       0.955                  0.811                  7.072
 ROA2   Fr= 1--       7.818                  8.779                -33.205
 CID2   Fr= 1--       8.187                 10.819                 -4.695
 Raman3 Fr= 1--       1.910                  1.623                 14.144
 ROA3   Fr= 1--      31.824                 47.284               -138.664
 CID3   Fr= 1--      16.664                 29.135                 -9.804
 RC180  Fr= 1--       0.709                  0.170                 -0.368
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.09  -0.02     0.02  -0.03   0.13     0.20   0.06  -0.11
     2   6    -0.03  -0.10  -0.01     0.04   0.00  -0.00     0.25   0.04   0.08
     3   6     0.03   0.05   0.00    -0.02   0.01  -0.16     0.13  -0.13   0.01
     4   6    -0.07   0.12   0.05     0.00  -0.04   0.09    -0.05  -0.04   0.07
     5   6    -0.02   0.14   0.03     0.05  -0.07   0.24    -0.03   0.01  -0.09
     6   6    -0.10   0.01   0.01     0.03   0.03  -0.15     0.10   0.16  -0.02
     7   6    -0.13  -0.04  -0.03    -0.03  -0.00  -0.05    -0.19  -0.05   0.00
     8   6     0.09  -0.15   0.03    -0.01   0.00   0.01    -0.19  -0.08   0.10
     9   6     0.15  -0.01   0.00    -0.01   0.02   0.01    -0.15  -0.03   0.02
    10   1     0.05  -0.13  -0.04     0.01  -0.03   0.20     0.09   0.19  -0.18
    11   1    -0.05  -0.15  -0.01     0.03   0.04  -0.10     0.23  -0.10   0.17
    12   1     0.17   0.09  -0.02    -0.05   0.08  -0.49     0.18  -0.12   0.02
    13   1    -0.25  -0.03   0.01     0.00   0.10  -0.51     0.13   0.16  -0.00
    14   1    -0.27  -0.10  -0.03    -0.07   0.01  -0.07    -0.27  -0.03  -0.04
    15   6     0.01   0.09  -0.05    -0.05   0.04  -0.04    -0.05   0.06  -0.07
    16   1     0.31  -0.07   0.05     0.06   0.05   0.03    -0.12  -0.03   0.11
    17   1     0.06  -0.35   0.20    -0.02  -0.05   0.07    -0.20  -0.15   0.15
    18   1     0.32   0.01   0.00    -0.20  -0.11  -0.20    -0.09  -0.04  -0.01
    19   1     0.17  -0.05   0.00     0.11   0.31  -0.07    -0.27  -0.03   0.05
    20   1    -0.03   0.14  -0.09    -0.11   0.10  -0.08    -0.01   0.13  -0.10
    21   1     0.03   0.33  -0.13    -0.05   0.05   0.03    -0.05   0.21  -0.19
    22   1     0.24   0.02   0.07    -0.06   0.06   0.01     0.11   0.01   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    555.3319               599.6320               668.6377
 Red. masses --      3.3375                 4.7828                 2.6843
 Frc consts  --      0.6064                 1.0132                 0.7071
 IR Inten    --      2.2008                 0.8571                 0.3238
 RamAct Fr= 1--      0.7600                 2.9326                 0.4932
  Dep-P Fr= 1--      0.7356                 0.7177                 0.0639
  Dep-U Fr= 1--      0.8476                 0.8356                 0.1201
 Alpha2 Fr= 1--      0.0002                 0.0016                 0.0094
 Beta2  Fr= 1--      0.1074                 0.4084                 0.0099
 AlphaG Fr= 1--      0.0037                 0.0067                -0.0229
 Gamma2 Fr= 1--      0.8576                -0.1708                 0.2022
 Delta2 Fr= 1--      0.0701                 0.2816                -0.0915
 Raman1 Fr= 1--       3.040                 11.730                  1.973
 ROA1   Fr= 1--      84.577                 -7.387                 16.485
 CID1   Fr= 1--      27.820                 -0.630                  8.357
 Raman2 Fr= 1--       1.288                  4.901                  0.118
 ROA2   Fr= 1--      20.023                 -6.353                  5.585
 CID2   Fr= 1--      15.540                 -1.296                 47.130
 Raman3 Fr= 1--       2.577                  9.802                  0.237
 ROA3   Fr= 1--      84.577                 -7.387                 16.485
 CID3   Fr= 1--      32.821                 -0.754                 69.562
 RC180  Fr= 1--       0.695                  0.671                 -0.760
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.17    -0.18  -0.16  -0.01     0.03  -0.04   0.08
     2   6    -0.01  -0.06   0.21     0.17  -0.07  -0.05     0.07   0.03  -0.07
     3   6    -0.05  -0.03   0.09    -0.17  -0.11  -0.01    -0.02  -0.13  -0.09
     4   6     0.02  -0.07   0.23    -0.13  -0.02  -0.05    -0.09  -0.03   0.06
     5   6     0.03  -0.02  -0.05     0.17   0.06  -0.06    -0.06  -0.01  -0.01
     6   6     0.01  -0.03  -0.14     0.20  -0.09  -0.03    -0.01   0.09   0.10
     7   6     0.03   0.07  -0.03    -0.14   0.06   0.11    -0.05   0.14   0.10
     8   6     0.09   0.08  -0.04    -0.05   0.08   0.06     0.10   0.08  -0.09
     9   6     0.05  -0.01  -0.02     0.13   0.21   0.05     0.01  -0.10  -0.10
    10   1    -0.12   0.09  -0.48    -0.29  -0.05   0.12    -0.08   0.07   0.08
    11   1     0.02  -0.02   0.35     0.24   0.14   0.07     0.03  -0.01  -0.21
    12   1    -0.09   0.00  -0.08    -0.06  -0.11   0.11    -0.03  -0.10  -0.21
    13   1     0.00   0.01  -0.32     0.10  -0.15   0.10    -0.04   0.10   0.06
    14   1    -0.07   0.07  -0.05    -0.04   0.12   0.09    -0.07   0.04   0.16
    15   6    -0.06   0.04  -0.05    -0.01   0.01  -0.00    -0.00   0.01   0.02
    16   1     0.21   0.13  -0.03    -0.26  -0.00   0.03     0.41   0.02  -0.10
    17   1     0.05   0.04   0.08     0.06  -0.03  -0.19    -0.01   0.06   0.22
    18   1     0.06   0.09   0.19     0.10   0.14  -0.08    -0.01   0.07   0.26
    19   1     0.03  -0.23   0.03     0.08   0.32   0.04     0.10  -0.45  -0.05
    20   1    -0.16   0.02  -0.06     0.16  -0.10   0.10     0.13  -0.22   0.20
    21   1    -0.05  -0.06   0.12    -0.03   0.06  -0.24    -0.02  -0.06  -0.13
    22   1    -0.18   0.08  -0.13     0.08  -0.03  -0.04    -0.04  -0.01  -0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    739.3819               763.2320               783.9892
 Red. masses --      2.6396                 1.5147                 2.5628
 Frc consts  --      0.8502                 0.5199                 0.9281
 IR Inten    --      9.8551                43.4738                 4.6059
 RamAct Fr= 1--      5.0445                 8.9505                18.2093
  Dep-P Fr= 1--      0.0661                 0.1017                 0.0609
  Dep-U Fr= 1--      0.1240                 0.1847                 0.1147
 Alpha2 Fr= 1--      0.0959                 0.1560                 0.3505
 Beta2  Fr= 1--      0.1042                 0.2755                 0.3482
 AlphaG Fr= 1--      0.0528                 0.0178                 0.0363
 Gamma2 Fr= 1--      0.1053                -1.1126                -0.9823
 Delta2 Fr= 1--      0.1553                -0.1173                 0.0522
 Raman1 Fr= 1--      20.178                 35.802                 72.837
 ROA1   Fr= 1--      15.076               -110.565                -92.631
 CID1   Fr= 1--       0.747                 -3.088                 -1.272
 Raman2 Fr= 1--       1.251                  3.306                  4.179
 ROA2   Fr= 1--       1.284                -25.765                -23.994
 CID2   Fr= 1--       1.026                 -7.793                 -5.742
 Raman3 Fr= 1--       2.502                  6.612                  8.357
 ROA3   Fr= 1--      15.076               -110.565                -92.631
 CID3   Fr= 1--       6.026                -16.721                -11.084
 RC180  Fr= 1--      -0.752                 -0.631                 -0.771
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.14     0.00   0.03  -0.03     0.03   0.05   0.00
     2   6     0.00   0.00   0.06    -0.03   0.02  -0.09    -0.06  -0.00   0.07
     3   6    -0.00  -0.14   0.02     0.01   0.08  -0.06     0.04   0.08   0.05
     4   6    -0.06  -0.01  -0.14     0.03  -0.00   0.10     0.03   0.04  -0.11
     5   6    -0.05  -0.02   0.16     0.02  -0.04  -0.01     0.03  -0.09   0.03
     6   6    -0.10   0.14  -0.08     0.03  -0.06  -0.04     0.04  -0.11  -0.03
     7   6     0.04   0.05   0.01    -0.03   0.03   0.04    -0.07   0.14   0.14
     8   6     0.06  -0.00  -0.01    -0.00  -0.00  -0.01    -0.01  -0.06   0.03
     9   6     0.07  -0.03   0.04    -0.02  -0.04  -0.01     0.01  -0.11  -0.02
    10   1    -0.02   0.01   0.29     0.11  -0.15   0.55     0.11   0.01  -0.25
    11   1    -0.00  -0.20   0.40     0.05  -0.07   0.55    -0.07   0.12  -0.24
    12   1     0.00  -0.25   0.46     0.04   0.01   0.26     0.01   0.08   0.04
    13   1    -0.12   0.11   0.07     0.13  -0.14   0.38     0.13  -0.04  -0.27
    14   1     0.14   0.05   0.04    -0.12  -0.00   0.03     0.05   0.07   0.22
    15   6     0.01   0.00   0.01    -0.03   0.03  -0.03    -0.07   0.09  -0.05
    16   1    -0.06  -0.01  -0.01     0.07  -0.02  -0.01    -0.11  -0.18   0.01
    17   1     0.11   0.00  -0.13    -0.03  -0.02   0.06     0.03  -0.07  -0.07
    18   1    -0.06  -0.16  -0.21    -0.07  -0.02   0.03    -0.04  -0.17  -0.12
    19   1     0.18   0.28  -0.06     0.01  -0.07  -0.01     0.01   0.01  -0.04
    20   1     0.06  -0.07   0.07    -0.01  -0.02   0.01     0.22  -0.22   0.20
    21   1     0.01  -0.04  -0.03    -0.03   0.01  -0.05    -0.11   0.08  -0.45
    22   1    -0.01   0.00  -0.08    -0.04   0.02  -0.08    -0.01   0.02  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    787.9166               852.6370               879.7097
 Red. masses --      2.2720                 3.7913                 1.3434
 Frc consts  --      0.8310                 1.6239                 0.6125
 IR Inten    --      1.4639                 0.5249                 0.0134
 RamAct Fr= 1--      0.7935                 8.3866                 1.6205
  Dep-P Fr= 1--      0.6004                 0.0986                 0.7327
  Dep-U Fr= 1--      0.7503                 0.1796                 0.8457
 Alpha2 Fr= 1--      0.0022                 0.1473                 0.0005
 Beta2  Fr= 1--      0.0992                 0.2510                 0.2284
 AlphaG Fr= 1--     -0.0094                -0.0176                -0.0009
 Gamma2 Fr= 1--      1.6353                 0.0855                 0.1501
 Delta2 Fr= 1--      0.4499                 0.2856                 0.1031
 Raman1 Fr= 1--       3.174                 33.546                  6.482
 ROA1   Fr= 1--     171.387                 17.345                 17.711
 CID1   Fr= 1--      53.996                  0.517                  2.732
 Raman2 Fr= 1--       1.191                  3.012                  2.741
 ROA2   Fr= 1--      35.649                 -0.233                  2.779
 CID2   Fr= 1--      29.936                 -0.077                  1.014
 Raman3 Fr= 1--       2.382                  6.024                  5.482
 ROA3   Fr= 1--     171.387                 17.345                 17.711
 CID3   Fr= 1--      71.961                  2.879                  3.231
 RC180  Fr= 1--       0.501                 -0.641                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.06     0.15   0.14   0.02     0.01  -0.02   0.06
     2   6     0.07  -0.04   0.04    -0.19   0.06   0.03     0.00   0.01  -0.05
     3   6    -0.00   0.09   0.06     0.07  -0.14  -0.04     0.01  -0.01   0.09
     4   6    -0.02   0.08  -0.12     0.03  -0.11  -0.03    -0.01   0.02  -0.04
     5   6     0.04  -0.00   0.12     0.02  -0.07  -0.02     0.00  -0.01   0.02
     6   6     0.06  -0.03  -0.05    -0.04  -0.09  -0.02    -0.01   0.02  -0.10
     7   6    -0.07  -0.06  -0.03    -0.16  -0.06   0.01    -0.02   0.01  -0.01
     8   6    -0.03   0.06  -0.09     0.03   0.08  -0.06     0.02   0.01  -0.02
     9   6    -0.09  -0.00  -0.03     0.09   0.24   0.04    -0.01  -0.02   0.02
    10   1    -0.00  -0.06   0.03     0.19   0.09  -0.02    -0.03   0.08  -0.40
    11   1     0.09   0.07  -0.00    -0.24  -0.07  -0.01     0.04  -0.06   0.31
    12   1     0.12   0.08   0.24    -0.17  -0.19  -0.02    -0.04   0.13  -0.53
    13   1     0.02  -0.01  -0.20     0.15  -0.05  -0.01     0.06  -0.12   0.59
    14   1    -0.08  -0.15   0.03    -0.17  -0.13   0.05    -0.00  -0.04   0.03
    15   6     0.03  -0.07   0.09    -0.03  -0.04   0.04     0.00  -0.01   0.02
    16   1     0.44   0.11  -0.07     0.24   0.09  -0.06     0.04   0.05  -0.01
    17   1    -0.20   0.01   0.37     0.02  -0.21   0.07     0.01  -0.02   0.01
    18   1    -0.27   0.13   0.28     0.02   0.32   0.22    -0.11  -0.06  -0.05
    19   1     0.13  -0.27  -0.03     0.21   0.03   0.05     0.03   0.08  -0.01
    20   1     0.09  -0.05   0.09     0.12  -0.01   0.05     0.05  -0.04   0.06
    21   1     0.03   0.01  -0.01    -0.04   0.15  -0.23    -0.00   0.01  -0.05
    22   1     0.13  -0.10   0.16     0.19  -0.12   0.19     0.03  -0.02   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    908.7120               936.6976               962.1341
 Red. masses --      1.9451                 1.3796                 1.3811
 Frc consts  --      0.9463                 0.7132                 0.7533
 IR Inten    --      0.1868                 0.7735                 0.2647
 RamAct Fr= 1--      1.8488                 0.1575                 1.4638
  Dep-P Fr= 1--      0.7499                 0.6214                 0.3729
  Dep-U Fr= 1--      0.8571                 0.7665                 0.5432
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0119
 Beta2  Fr= 1--      0.2641                 0.0201                 0.1325
 AlphaG Fr= 1--     -0.0005                 0.0023                 0.0159
 Gamma2 Fr= 1--     -0.0789                 0.2800                 0.1088
 Delta2 Fr= 1--     -0.2425                -0.0523                 0.2237
 Raman1 Fr= 1--       7.395                  0.630                  5.855
 ROA1   Fr= 1--     -15.336                 25.209                 17.605
 CID1   Fr= 1--      -2.074                 40.009                  3.007
 Raman2 Fr= 1--       3.169                  0.241                  1.590
 ROA2   Fr= 1--       0.047                  7.139                  0.822
 CID2   Fr= 1--       0.015                 29.565                  0.517
 Raman3 Fr= 1--       6.339                  0.483                  3.181
 ROA3   Fr= 1--     -15.336                 25.209                 17.605
 CID3   Fr= 1--      -2.419                 52.198                  5.535
 RC180  Fr= 1--       0.714                  0.533                  0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.00  -0.01   0.06    -0.01   0.02  -0.08
     2   6     0.03  -0.00   0.02     0.00  -0.01   0.07     0.02  -0.02   0.07
     3   6    -0.01   0.04  -0.03    -0.01   0.02  -0.11     0.00  -0.01   0.05
     4   6    -0.03   0.03   0.03     0.00  -0.01   0.03     0.01  -0.00   0.01
     5   6    -0.02  -0.03  -0.05     0.00   0.00   0.01    -0.01   0.01  -0.03
     6   6     0.00  -0.00   0.01    -0.01   0.02  -0.09    -0.00   0.01  -0.03
     7   6    -0.07  -0.04  -0.00     0.01   0.01   0.00     0.02   0.01  -0.01
     8   6     0.21   0.08  -0.04    -0.04  -0.01  -0.02     0.02  -0.06  -0.05
     9   6    -0.06  -0.06   0.07     0.01   0.00   0.01    -0.05   0.05   0.06
    10   1     0.01  -0.01  -0.04    -0.04   0.08  -0.34     0.03  -0.10   0.54
    11   1     0.01   0.04  -0.17    -0.04   0.09  -0.40    -0.03   0.11  -0.49
    12   1     0.08   0.01   0.19     0.05  -0.13   0.55    -0.05   0.07  -0.35
    13   1     0.03   0.00  -0.00     0.06  -0.11   0.51     0.02  -0.05   0.26
    14   1    -0.31  -0.13   0.00    -0.03   0.00  -0.00     0.00  -0.13   0.08
    15   6    -0.03  -0.04   0.02     0.02   0.01  -0.01     0.02   0.03   0.01
    16   1    -0.16   0.16  -0.03     0.08   0.02  -0.00     0.09   0.03  -0.03
    17   1     0.32   0.12  -0.35    -0.07  -0.06   0.09     0.03  -0.22  -0.00
    18   1    -0.31  -0.19  -0.14    -0.01  -0.01  -0.01    -0.09   0.03   0.01
    19   1    -0.30   0.25   0.07     0.09   0.03  -0.02    -0.11   0.09   0.06
    20   1     0.04   0.07  -0.04    -0.05  -0.02   0.00     0.01  -0.12   0.10
    21   1    -0.02   0.14  -0.10     0.02  -0.08   0.10     0.01  -0.10   0.02
    22   1     0.17  -0.10   0.22    -0.08   0.04  -0.08    -0.10   0.05  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    963.4952               974.4968              1034.1675
 Red. masses --      1.6491                 2.0352                 1.7264
 Frc consts  --      0.9020                 1.1387                 1.0878
 IR Inten    --      0.5368                 0.6672                 2.2682
 RamAct Fr= 1--      2.8283                 5.2748                10.2851
  Dep-P Fr= 1--      0.2707                 0.7271                 0.1647
  Dep-U Fr= 1--      0.4261                 0.8420                 0.2828
 Alpha2 Fr= 1--      0.0316                 0.0021                 0.1531
 Beta2  Fr= 1--      0.2009                 0.7402                 0.4849
 AlphaG Fr= 1--     -0.0830                -0.0085                 0.2088
 Gamma2 Fr= 1--      1.0079                -1.3711                -1.1175
 Delta2 Fr= 1--     -0.1765                -1.1805                -0.6421
 Raman1 Fr= 1--      11.313                 21.099                 41.140
 ROA1   Fr= 1--      91.111               -169.399               -127.830
 CID1   Fr= 1--       8.054                 -8.029                 -3.107
 Raman2 Fr= 1--       2.410                  8.883                  5.818
 ROA2   Fr= 1--      25.602                -23.461                -21.684
 CID2   Fr= 1--      10.622                 -2.641                 -3.727
 Raman3 Fr= 1--       4.820                 17.766                 11.636
 ROA3   Fr= 1--      91.111               -169.399               -127.830
 CID3   Fr= 1--      18.901                 -9.535                -10.985
 RC180  Fr= 1--      -0.148                  0.684                 -0.434
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.05     0.03   0.02  -0.01     0.03   0.04   0.01
     2   6     0.02   0.01  -0.06    -0.03   0.01  -0.00     0.00   0.02   0.00
     3   6    -0.01   0.00  -0.03     0.01   0.00   0.00     0.00  -0.03   0.00
     4   6     0.01  -0.00  -0.00    -0.04   0.01   0.02    -0.07   0.05  -0.03
     5   6    -0.01   0.01  -0.02     0.00  -0.00  -0.07    -0.01  -0.02   0.04
     6   6     0.00  -0.00   0.05     0.02  -0.04   0.03     0.02  -0.08  -0.03
     7   6     0.03   0.00  -0.01    -0.08   0.09  -0.10    -0.04   0.13   0.01
     8   6     0.04  -0.11  -0.08    -0.10   0.05  -0.03     0.05  -0.08   0.02
     9   6    -0.08   0.09   0.09     0.09  -0.11   0.05    -0.05   0.03  -0.03
    10   1    -0.07   0.09  -0.31     0.07  -0.02   0.03    -0.01   0.09  -0.01
    11   1     0.06  -0.07   0.37    -0.02  -0.00   0.03     0.02   0.06   0.04
    12   1     0.00  -0.05   0.21     0.02   0.02  -0.03     0.01  -0.02  -0.03
    13   1    -0.05   0.07  -0.31     0.03   0.01  -0.17     0.05  -0.08  -0.02
    14   1     0.03  -0.21   0.13    -0.18   0.05  -0.10    -0.26   0.38  -0.21
    15   6     0.02   0.06   0.00     0.09  -0.03   0.12     0.09  -0.05  -0.00
    16   1     0.15   0.02  -0.05     0.05   0.48   0.07    -0.06  -0.29  -0.03
    17   1     0.05  -0.36  -0.00    -0.12  -0.23   0.13     0.13  -0.20  -0.17
    18   1    -0.17   0.06   0.04     0.11  -0.30  -0.35    -0.09   0.12   0.15
    19   1    -0.15   0.14   0.10     0.04   0.30  -0.02    -0.10  -0.14   0.02
    20   1     0.03  -0.18   0.16     0.01  -0.15   0.18    -0.22   0.16  -0.20
    21   1     0.00  -0.16   0.01     0.08  -0.20   0.26     0.13  -0.11   0.47
    22   1    -0.15   0.08  -0.33    -0.08   0.01  -0.07    -0.11   0.06   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1050.7923              1089.0788              1106.4114
 Red. masses --      2.2062                 1.8019                 1.6694
 Frc consts  --      1.4353                 1.2592                 1.2041
 IR Inten    --      3.2533                 3.2263                 0.9320
 RamAct Fr= 1--     39.3853                 8.1261                 0.3514
  Dep-P Fr= 1--      0.0431                 0.3662                 0.4019
  Dep-U Fr= 1--      0.0826                 0.5361                 0.5733
 Alpha2 Fr= 1--      0.7909                 0.0676                 0.0026
 Beta2  Fr= 1--      0.5422                 0.7260                 0.0336
 AlphaG Fr= 1--     -0.0084                -0.0202                 0.0011
 Gamma2 Fr= 1--      0.6341                -0.5650                -0.5801
 Delta2 Fr= 1--      0.2393                 1.7164                -0.4186
 Raman1 Fr= 1--     157.541                 32.504                  1.406
 ROA1   Fr= 1--      68.532                  0.687                -69.086
 CID1   Fr= 1--       0.435                  0.021                -49.153
 Raman2 Fr= 1--       6.506                  8.712                  0.403
 ROA2   Fr= 1--      13.305                -27.290                -10.574
 CID2   Fr= 1--       2.045                 -3.132                -26.244
 Raman3 Fr= 1--      13.012                 17.425                  0.806
 ROA3   Fr= 1--      68.532                  0.687                -69.086
 CID3   Fr= 1--       5.267                  0.039                -85.732
 RC180  Fr= 1--      -0.835                  0.072                  0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.16  -0.02     0.02   0.02  -0.00     0.01   0.03   0.01
     2   6    -0.16   0.09   0.04    -0.02   0.01   0.00    -0.03   0.03   0.01
     3   6     0.11  -0.07  -0.02     0.01  -0.04   0.01     0.03  -0.07  -0.02
     4   6     0.02   0.02  -0.00    -0.04   0.04  -0.05    -0.05   0.05  -0.00
     5   6     0.03  -0.01  -0.01     0.02   0.03  -0.04     0.02   0.04   0.08
     6   6     0.07   0.11   0.02     0.01  -0.03   0.01     0.02  -0.07  -0.04
     7   6    -0.01   0.02   0.00     0.01  -0.10   0.15    -0.02  -0.07  -0.06
     8   6    -0.01  -0.02  -0.00    -0.01   0.05  -0.03     0.04   0.01   0.07
     9   6    -0.02   0.00   0.00     0.02  -0.03   0.06    -0.03  -0.00  -0.09
    10   1     0.01  -0.30  -0.06     0.00   0.04   0.01    -0.08   0.13   0.02
    11   1    -0.12   0.29   0.08    -0.02   0.02   0.01     0.02   0.17   0.05
    12   1     0.57   0.04  -0.06     0.03  -0.00  -0.10     0.17  -0.05   0.01
    13   1     0.53   0.23  -0.01    -0.02  -0.02  -0.09    -0.01  -0.10   0.04
    14   1    -0.06   0.04  -0.02    -0.31  -0.23   0.15    -0.15  -0.34   0.08
    15   6     0.00  -0.01   0.00     0.05   0.04  -0.12     0.03   0.06   0.03
    16   1     0.01  -0.03  -0.01     0.13  -0.06  -0.05    -0.23   0.22   0.11
    17   1    -0.01  -0.05   0.00    -0.14   0.36   0.19     0.07   0.27  -0.10
    18   1    -0.08   0.00   0.02    -0.21  -0.12  -0.07     0.37   0.09   0.02
    19   1    -0.02  -0.01   0.01     0.29   0.17  -0.05    -0.33  -0.19   0.03
    20   1    -0.02   0.02  -0.02    -0.28   0.10  -0.22     0.02  -0.19   0.18
    21   1     0.01   0.01   0.03     0.07  -0.14   0.30     0.01  -0.17   0.03
    22   1     0.01  -0.00   0.04    -0.24   0.16  -0.14    -0.12   0.07  -0.28
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1119.8222              1182.2712              1183.3276
 Red. masses --      1.8852                 1.1352                 1.9750
 Frc consts  --      1.3929                 0.9349                 1.6294
 IR Inten    --      1.6742                 0.1317                 1.1567
 RamAct Fr= 1--      1.5892                 5.6544                 1.4944
  Dep-P Fr= 1--      0.3860                 0.3522                 0.2986
  Dep-U Fr= 1--      0.5570                 0.5209                 0.4598
 Alpha2 Fr= 1--      0.0124                 0.0493                 0.0154
 Beta2  Fr= 1--      0.1475                 0.4909                 0.1145
 AlphaG Fr= 1--      0.0175                -0.0404                -0.0149
 Gamma2 Fr= 1--     -0.3341                -0.4196                 0.7411
 Delta2 Fr= 1--      0.0325                -0.0362                 0.2968
 Raman1 Fr= 1--       6.357                 22.618                  5.978
 ROA1   Fr= 1--     -31.036                -41.437                 80.640
 CID1   Fr= 1--      -4.882                 -1.832                 13.490
 Raman2 Fr= 1--       1.771                  5.891                  1.374
 ROA2   Fr= 1--      -8.279                 -9.780                 15.411
 CID2   Fr= 1--      -4.676                 -1.660                 11.213
 Raman3 Fr= 1--       3.541                 11.781                  2.749
 ROA3   Fr= 1--     -31.036                -41.437                 80.640
 CID3   Fr= 1--      -8.764                 -3.517                 29.336
 RC180  Fr= 1--       0.114                  0.042                 -0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.01     0.03  -0.05  -0.01    -0.09  -0.01   0.01
     2   6    -0.00  -0.05  -0.01     0.01   0.06   0.01     0.08   0.01  -0.01
     3   6    -0.06   0.11   0.03    -0.02  -0.02  -0.00     0.07   0.04   0.01
     4   6     0.00  -0.06  -0.04     0.03  -0.01  -0.01     0.13  -0.05  -0.05
     5   6     0.00  -0.09   0.02     0.01   0.00   0.01    -0.09  -0.12   0.01
     6   6     0.01   0.12   0.02    -0.03   0.01   0.00    -0.07   0.01   0.01
     7   6    -0.08  -0.05   0.02    -0.01   0.01   0.01    -0.04  -0.01   0.08
     8   6     0.01   0.05   0.06    -0.00   0.00  -0.00    -0.02   0.07  -0.01
     9   6     0.04   0.04  -0.07    -0.00  -0.00  -0.01     0.05   0.02  -0.02
    10   1     0.29  -0.31  -0.11     0.37  -0.41  -0.13    -0.37   0.28   0.09
    11   1    -0.11  -0.41  -0.06     0.17   0.59   0.11     0.15   0.23   0.04
    12   1    -0.25   0.07   0.03    -0.33  -0.09   0.01     0.37   0.12  -0.03
    13   1     0.29   0.19   0.03    -0.37  -0.08   0.03    -0.28  -0.05   0.03
    14   1    -0.15  -0.08   0.02    -0.08  -0.02   0.01    -0.21  -0.06   0.07
    15   6     0.06   0.04  -0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.04
    16   1    -0.13   0.07   0.06    -0.01   0.03   0.01     0.01   0.20   0.02
    17   1     0.11  -0.15  -0.13     0.00  -0.04  -0.00     0.06  -0.39  -0.05
    18   1     0.01   0.11   0.10     0.01   0.00   0.01     0.28   0.04  -0.04
    19   1    -0.13  -0.13   0.01    -0.05  -0.01   0.01    -0.11  -0.01   0.02
    20   1    -0.12  -0.07   0.02    -0.01   0.01  -0.01    -0.10   0.07  -0.11
    21   1     0.06  -0.19   0.21     0.00   0.00   0.01     0.02   0.01   0.08
    22   1    -0.19   0.12  -0.20    -0.01   0.00   0.00    -0.05   0.03   0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1191.2683              1218.0960              1231.3432
 Red. masses --      1.3161                 1.4674                 2.0955
 Frc consts  --      1.1004                 1.2828                 1.8719
 IR Inten    --      1.0313                 0.3831                 1.0687
 RamAct Fr= 1--      2.9691                 3.3016                36.7743
  Dep-P Fr= 1--      0.7307                 0.4216                 0.1006
  Dep-U Fr= 1--      0.8444                 0.5931                 0.1828
 Alpha2 Fr= 1--      0.0010                 0.0226                 0.6429
 Beta2  Fr= 1--      0.4178                 0.3264                 1.1204
 AlphaG Fr= 1--      0.0050                -0.0885                -0.0934
 Gamma2 Fr= 1--      0.4420                 0.9684                 0.6527
 Delta2 Fr= 1--      0.0108                -1.3217                 0.7258
 Raman1 Fr= 1--      11.876                 13.206                147.097
 ROA1   Fr= 1--      42.776                 50.673                 85.888
 CID1   Fr= 1--       3.602                  3.837                  0.584
 Raman2 Fr= 1--       5.014                  3.917                 13.445
 ROA2   Fr= 1--      10.522                 33.816                  9.859
 CID2   Fr= 1--       2.098                  8.634                  0.733
 Raman3 Fr= 1--      10.028                  7.833                 26.890
 ROA3   Fr= 1--      42.776                 50.673                 85.888
 CID3   Fr= 1--       4.266                  6.469                  3.194
 RC180  Fr= 1--       0.689                  0.186                 -0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00     0.03   0.02   0.00    -0.07   0.00   0.01
     2   6     0.00  -0.02  -0.00    -0.04  -0.00   0.00    -0.07  -0.04  -0.00
     3   6    -0.02  -0.01   0.00    -0.01  -0.02  -0.00     0.04  -0.06  -0.01
     4   6     0.03   0.01  -0.02    -0.08   0.01   0.01     0.17  -0.01  -0.04
     5   6    -0.02  -0.00   0.04     0.06   0.06   0.04     0.15   0.11   0.02
     6   6     0.03   0.01  -0.01     0.03  -0.01  -0.01     0.03   0.06   0.01
     7   6     0.04   0.06   0.05     0.02  -0.04   0.09    -0.03   0.04   0.01
     8   6    -0.00  -0.04  -0.08    -0.03   0.04  -0.06    -0.02  -0.01   0.02
     9   6    -0.05   0.02   0.04     0.02  -0.04  -0.03    -0.02  -0.06  -0.04
    10   1     0.05  -0.06  -0.03     0.09  -0.04  -0.02    -0.24   0.17   0.06
    11   1    -0.02  -0.11  -0.01    -0.06  -0.06  -0.00    -0.16  -0.29  -0.04
    12   1    -0.28  -0.07   0.01     0.08   0.01  -0.01    -0.38  -0.17  -0.00
    13   1     0.29   0.07  -0.01    -0.07  -0.04   0.02    -0.33  -0.02   0.04
    14   1    -0.27  -0.09   0.07     0.52   0.10   0.13    -0.46  -0.05  -0.04
    15   6    -0.02  -0.04  -0.02    -0.01  -0.02  -0.06    -0.00  -0.01   0.01
    16   1     0.11   0.14  -0.03     0.05   0.33   0.01    -0.09   0.09   0.05
    17   1    -0.11   0.19   0.13     0.02  -0.42  -0.00    -0.01  -0.08   0.00
    18   1     0.65  -0.01  -0.18    -0.04  -0.03  -0.00    -0.34  -0.05   0.08
    19   1    -0.25   0.05   0.09    -0.51  -0.03   0.11    -0.22  -0.08   0.02
    20   1    -0.01   0.11  -0.11    -0.08   0.11  -0.16     0.00   0.01   0.00
    21   1    -0.00   0.12  -0.02     0.01   0.05   0.05    -0.00   0.04  -0.02
    22   1     0.05  -0.04   0.13    -0.01   0.00   0.10    -0.01  -0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1286.8336              1301.5566              1325.3364
 Red. masses --      1.3434                 2.3558                 1.5021
 Frc consts  --      1.3107                 2.3514                 1.5546
 IR Inten    --      1.4830                 0.2740                 0.4215
 RamAct Fr= 1--      4.0724                10.4586                 2.3932
  Dep-P Fr= 1--      0.2106                 0.1297                 0.6953
  Dep-U Fr= 1--      0.3479                 0.2297                 0.8202
 Alpha2 Fr= 1--      0.0538                 0.1701                 0.0023
 Beta2  Fr= 1--      0.2361                 0.4004                 0.3272
 AlphaG Fr= 1--     -0.0885                 0.0077                -0.0053
 Gamma2 Fr= 1--      2.7488                -1.4728                 0.8082
 Delta2 Fr= 1--     -0.0603                 0.3040                 0.8964
 Raman1 Fr= 1--      16.289                 41.835                  9.573
 ROA1   Fr= 1--     261.955               -131.657                106.273
 CID1   Fr= 1--      16.081                 -3.147                 11.102
 Raman2 Fr= 1--       2.834                  4.804                  3.926
 ROA2   Fr= 1--      66.453                -37.779                 12.225
 CID2   Fr= 1--      23.451                 -7.864                  3.114
 Raman3 Fr= 1--       5.667                  9.608                  7.852
 ROA3   Fr= 1--     261.955               -131.657                106.273
 CID3   Fr= 1--      46.222                -13.702                 13.534
 RC180  Fr= 1--      -0.304                 -0.541                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.01    -0.07   0.05   0.02    -0.02   0.04   0.01
     2   6     0.02   0.01  -0.00    -0.03  -0.09  -0.02    -0.02   0.01   0.00
     3   6    -0.02  -0.03  -0.00     0.10   0.01  -0.01    -0.02   0.02   0.01
     4   6    -0.01   0.09   0.01     0.04  -0.09  -0.01    -0.05  -0.10  -0.01
     5   6    -0.05   0.01  -0.01    -0.07   0.15   0.02     0.06  -0.02  -0.02
     6   6    -0.02  -0.04  -0.00     0.09   0.01  -0.00     0.04   0.04   0.00
     7   6     0.09   0.02   0.01    -0.12  -0.03   0.01     0.00   0.08   0.01
     8   6    -0.02   0.00   0.05     0.07   0.06   0.01     0.03  -0.09   0.01
     9   6    -0.02  -0.00  -0.05    -0.15  -0.05   0.02    -0.06   0.03  -0.01
    10   1    -0.05   0.05   0.02     0.02  -0.04  -0.01     0.18  -0.16  -0.05
    11   1     0.03   0.05   0.00     0.06   0.18   0.03    -0.07  -0.18  -0.03
    12   1    -0.22  -0.08   0.00    -0.27  -0.09   0.01     0.40   0.12  -0.01
    13   1     0.33   0.05  -0.03     0.10   0.01  -0.01    -0.43  -0.08   0.02
    14   1    -0.13  -0.29   0.17     0.40   0.14   0.04    -0.02  -0.17   0.17
    15   6    -0.03  -0.02  -0.02     0.04   0.00  -0.01     0.00  -0.03  -0.01
    16   1    -0.18   0.41   0.15    -0.04  -0.01  -0.02    -0.16   0.46   0.13
    17   1     0.10  -0.40  -0.11     0.17  -0.21  -0.14    -0.01   0.18   0.01
    18   1    -0.18   0.04   0.07     0.36  -0.06  -0.12     0.05   0.06   0.02
    19   1     0.40  -0.10  -0.14     0.51   0.01  -0.17     0.32  -0.06  -0.09
    20   1     0.03   0.08  -0.07    -0.11  -0.03  -0.02    -0.01   0.07  -0.08
    21   1    -0.01   0.08  -0.02     0.03  -0.07   0.08     0.02   0.08   0.04
    22   1     0.06  -0.04   0.06    -0.09   0.06   0.00    -0.01  -0.01   0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1348.3103              1353.5243              1362.6206
 Red. masses --      1.4479                 1.3919                 3.2013
 Frc consts  --      1.5508                 1.5024                 3.5020
 IR Inten    --      0.9234                 2.1239                 4.1432
 RamAct Fr= 1--      0.6122                10.2203                11.1635
  Dep-P Fr= 1--      0.3634                 0.5721                 0.0982
  Dep-U Fr= 1--      0.5330                 0.7278                 0.1788
 Alpha2 Fr= 1--      0.0051                 0.0343                 0.1963
 Beta2  Fr= 1--      0.0544                 1.2397                 0.3326
 AlphaG Fr= 1--      0.0140                -0.0748                -0.0443
 Gamma2 Fr= 1--     -0.4352                -2.0630                -0.8356
 Delta2 Fr= 1--     -0.2360                 0.1552                -0.5702
 Raman1 Fr= 1--       2.449                 40.881                 44.654
 ROA1   Fr= 1--     -49.333               -193.078                -98.463
 CID1   Fr= 1--     -20.147                 -4.723                 -2.205
 Raman2 Fr= 1--       0.653                 14.876                  3.991
 ROA2   Fr= 1--      -8.558                -50.753                -15.493
 CID2   Fr= 1--     -13.113                 -3.412                 -3.882
 Raman3 Fr= 1--       1.305                 29.753                  7.983
 ROA3   Fr= 1--     -49.333               -193.078                -98.463
 CID3   Fr= 1--     -37.798                 -6.489                -12.335
 RC180  Fr= 1--       0.066                  0.456                 -0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.02  -0.01  -0.00     0.08  -0.14  -0.04
     2   6     0.01  -0.03  -0.01    -0.00   0.03   0.01     0.02   0.15   0.03
     3   6     0.05   0.02  -0.00    -0.03  -0.01   0.00    -0.12  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.01   0.01  -0.01     0.13   0.14   0.04
     5   6    -0.06   0.00   0.00     0.03  -0.01  -0.00     0.16  -0.07  -0.03
     6   6    -0.02  -0.00   0.00    -0.00  -0.00   0.00    -0.13  -0.02   0.01
     7   6    -0.07  -0.02   0.03     0.06  -0.11   0.08    -0.16  -0.00  -0.01
     8   6     0.03  -0.13  -0.03     0.01   0.00  -0.03     0.04  -0.01  -0.01
     9   6     0.07   0.03  -0.02    -0.06  -0.00   0.00    -0.12  -0.01   0.02
    10   1    -0.10   0.09   0.03     0.04  -0.03  -0.01    -0.25   0.20   0.07
    11   1     0.08   0.18   0.03    -0.04  -0.09  -0.02    -0.11  -0.24  -0.04
    12   1    -0.20  -0.04   0.01     0.10   0.02  -0.02    -0.03  -0.02   0.02
    13   1     0.22   0.06  -0.01    -0.06  -0.02  -0.00     0.01   0.02   0.01
    14   1     0.22   0.29  -0.10    -0.30   0.59  -0.50     0.57   0.04   0.16
    15   6     0.02  -0.00   0.01    -0.03   0.06   0.03     0.05  -0.01  -0.01
    16   1    -0.11   0.55   0.12     0.01   0.28   0.04    -0.08   0.06  -0.00
    17   1    -0.10   0.44   0.09     0.05  -0.15  -0.05     0.00   0.09   0.04
    18   1    -0.29   0.06   0.11     0.17   0.01  -0.03     0.33  -0.02  -0.10
    19   1    -0.08   0.01   0.03     0.19  -0.02  -0.06     0.27  -0.05  -0.07
    20   1    -0.08   0.02  -0.03     0.07  -0.08   0.13    -0.17  -0.02  -0.05
    21   1     0.01   0.02  -0.06    -0.06  -0.07  -0.13     0.04  -0.04   0.05
    22   1    -0.09   0.04  -0.05     0.06  -0.01  -0.13    -0.11   0.07   0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1409.0603              1484.0609              1492.4870
 Red. masses --      1.2192                 1.1113                 1.3594
 Frc consts  --      1.4262                 1.4421                 1.7841
 IR Inten    --      4.2781                 1.1644                 8.7316
 RamAct Fr= 1--      0.8945                13.9124                 3.5410
  Dep-P Fr= 1--      0.6483                 0.5470                 0.5704
  Dep-U Fr= 1--      0.7866                 0.7072                 0.7265
 Alpha2 Fr= 1--      0.0016                 0.0541                 0.0120
 Beta2  Fr= 1--      0.1173                 1.6398                 0.4287
 AlphaG Fr= 1--     -0.0075                -0.0387                -0.0225
 Gamma2 Fr= 1--      0.1159                 0.2376                -2.5832
 Delta2 Fr= 1--      0.1735                 1.2443                 2.7542
 Raman1 Fr= 1--       3.578                 55.649                 14.164
 ROA1   Fr= 1--      16.677                 62.627               -159.855
 CID1   Fr= 1--       4.661                  1.125                -11.286
 Raman2 Fr= 1--       1.407                 19.677                  5.145
 ROA2   Fr= 1--       1.393                 -4.252                -84.030
 CID2   Fr= 1--       0.990                 -0.216                -16.333
 Raman3 Fr= 1--       2.815                 39.355                 10.290
 ROA3   Fr= 1--      16.677                 62.627               -159.855
 CID3   Fr= 1--       5.925                  1.591                -15.535
 RC180  Fr= 1--       0.573                  0.414                  0.453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.01   0.01   0.00     0.08  -0.04  -0.02
     2   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.05  -0.06  -0.01
     3   6     0.01   0.00   0.00    -0.02  -0.01   0.00    -0.00   0.05   0.01
     4   6     0.01  -0.00  -0.00     0.02  -0.01  -0.00    -0.04  -0.04  -0.01
     5   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.01  -0.01
     6   6    -0.01   0.00   0.00    -0.01  -0.02  -0.00    -0.02   0.04   0.01
     7   6    -0.01   0.00   0.01    -0.00   0.01  -0.00    -0.01  -0.00   0.00
     8   6     0.01  -0.02  -0.01     0.04   0.01  -0.02    -0.00  -0.00   0.00
     9   6     0.00   0.01   0.00    -0.00  -0.06  -0.03    -0.02  -0.02  -0.00
    10   1    -0.03   0.02   0.01     0.06  -0.05  -0.02    -0.20   0.25   0.07
    11   1     0.01   0.02   0.00     0.00  -0.04  -0.01     0.05   0.29   0.06
    12   1    -0.05  -0.01  -0.00     0.08   0.01  -0.01    -0.05   0.05   0.02
    13   1     0.01   0.01   0.00     0.07   0.00  -0.00     0.02   0.06   0.01
    14   1     0.02   0.01   0.01    -0.01  -0.01   0.01    -0.01   0.01  -0.01
    15   6    -0.05   0.06  -0.11    -0.00   0.01   0.01    -0.04  -0.03   0.00
    16   1    -0.05   0.06   0.01    -0.38  -0.07  -0.04     0.04  -0.00   0.00
    17   1    -0.03   0.04   0.05    -0.11  -0.10   0.36     0.01   0.02  -0.04
    18   1    -0.02  -0.01  -0.02     0.10   0.23   0.48     0.09   0.08   0.15
    19   1    -0.00  -0.03   0.01    -0.03   0.53  -0.11     0.02   0.17  -0.04
    20   1     0.28  -0.40   0.28    -0.08   0.05  -0.04     0.52   0.27  -0.07
    21   1    -0.00  -0.25   0.51    -0.03  -0.18  -0.05     0.04   0.22   0.38
    22   1     0.34  -0.04   0.45     0.15  -0.06  -0.01    -0.02  -0.07  -0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1496.6105              1500.8527              1503.6563
 Red. masses --      1.2529                 1.2414                 1.1328
 Frc consts  --      1.6534                 1.6475                 1.5091
 IR Inten    --      3.5788                 5.7392                 1.6650
 RamAct Fr= 1--     10.4423                 2.5401                 6.5234
  Dep-P Fr= 1--      0.6899                 0.4794                 0.3600
  Dep-U Fr= 1--      0.8165                 0.6481                 0.5294
 Alpha2 Fr= 1--      0.0110                 0.0138                 0.0554
 Beta2  Fr= 1--      1.4210                 0.2744                 0.5756
 AlphaG Fr= 1--      0.0227                -0.0252                -0.0587
 Gamma2 Fr= 1--     -0.1385                 2.0665                 0.9764
 Delta2 Fr= 1--     -0.5546                 0.1460                -4.1728
 Raman1 Fr= 1--      41.769                 10.160                 26.094
 ROA1   Fr= 1--     -31.040                203.056                -39.796
 CID1   Fr= 1--      -0.743                 19.985                 -1.525
 Raman2 Fr= 1--      17.052                  3.292                  6.907
 ROA2   Fr= 1--       1.113                 48.427                 56.816
 CID2   Fr= 1--       0.065                 14.709                  8.226
 Raman3 Fr= 1--      34.105                  6.585                 13.814
 ROA3   Fr= 1--     -31.040                203.056                -39.796
 CID3   Fr= 1--      -0.910                 30.838                 -2.881
 RC180  Fr= 1--       0.633                  0.296                  0.059
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.01    -0.06   0.01   0.01     0.03  -0.02  -0.01
     2   6     0.05   0.06   0.01     0.03   0.06   0.01    -0.02  -0.02  -0.00
     3   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     4   6     0.05   0.02   0.00     0.03   0.04   0.01    -0.02  -0.01  -0.00
     5   6    -0.04   0.02   0.01    -0.05  -0.01   0.00     0.03  -0.00  -0.01
     6   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     7   6    -0.01  -0.02  -0.00    -0.04  -0.00   0.01     0.01   0.02   0.00
     8   6    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.06  -0.02   0.03
     9   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.01  -0.04  -0.01
    10   1     0.15  -0.19  -0.06     0.09  -0.16  -0.04    -0.07   0.09   0.03
    11   1    -0.03  -0.23  -0.04    -0.06  -0.25  -0.05     0.01   0.09   0.02
    12   1     0.08  -0.03  -0.01    -0.05  -0.05  -0.01    -0.02   0.02   0.00
    13   1     0.03  -0.04  -0.01    -0.08  -0.06  -0.01    -0.01   0.02   0.01
    14   1     0.02   0.04  -0.04     0.10  -0.00   0.05    -0.02  -0.04   0.04
    15   6    -0.00  -0.03  -0.03    -0.03   0.01   0.02     0.01   0.02  -0.01
    16   1     0.18   0.03   0.02     0.23   0.06   0.03     0.50   0.10   0.05
    17   1     0.05   0.05  -0.17     0.06   0.09  -0.21     0.13   0.13  -0.48
    18   1     0.02   0.09   0.22    -0.01   0.00   0.01     0.09   0.14   0.30
    19   1    -0.02   0.24  -0.05     0.00   0.01   0.00    -0.00   0.33  -0.07
    20   1     0.33  -0.15   0.14     0.18   0.38  -0.19    -0.27  -0.12   0.02
    21   1     0.08   0.52   0.22    -0.03  -0.34   0.21    -0.03  -0.17  -0.18
    22   1    -0.40   0.17   0.04     0.40  -0.24  -0.37     0.08   0.01   0.20
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1517.2297              1628.6253              1650.3698
 Red. masses --      2.3418                 6.1958                 6.3413
 Frc consts  --      3.1762                 9.6826                10.1764
 IR Inten    --     17.5775                 0.8507                 0.8250
 RamAct Fr= 1--      2.2070                14.9240                26.9301
  Dep-P Fr= 1--      0.5136                 0.6396                 0.7353
  Dep-U Fr= 1--      0.6786                 0.7802                 0.8475
 Alpha2 Fr= 1--      0.0102                 0.0298                 0.0067
 Beta2  Fr= 1--      0.2496                 1.9406                 3.8038
 AlphaG Fr= 1--     -0.0397                -0.0844                -0.0024
 Gamma2 Fr= 1--     -2.6382                 0.8121                -0.5279
 Delta2 Fr= 1--      0.4787                -1.3356                 1.3089
 Raman1 Fr= 1--       8.828                 59.696                107.721
 ROA1   Fr= 1--    -237.949                 35.221                 -8.791
 CID1   Fr= 1--     -26.954                  0.590                 -0.082
 Raman2 Fr= 1--       2.995                 23.287                 45.646
 ROA2   Fr= 1--     -67.146                 30.175                -23.140
 CID2   Fr= 1--     -22.416                  1.296                 -0.507
 Raman3 Fr= 1--       5.991                 46.574                 91.292
 ROA3   Fr= 1--    -237.949                 35.221                 -8.791
 CID3   Fr= 1--     -39.719                  0.756                 -0.096
 RC180  Fr= 1--       0.357                  0.560                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.01     0.15  -0.29  -0.08     0.19  -0.02  -0.02
     2   6    -0.06   0.05   0.02     0.00   0.32   0.07    -0.16  -0.11  -0.01
     3   6     0.16   0.04  -0.01    -0.00   0.16   0.03    -0.34  -0.09   0.01
     4   6    -0.11   0.11   0.04    -0.03  -0.30  -0.06     0.25   0.14   0.01
     5   6    -0.05  -0.16  -0.03    -0.17   0.25   0.07    -0.28  -0.00   0.03
     6   6     0.16   0.04  -0.01     0.08  -0.14  -0.04     0.34   0.08  -0.02
     7   6     0.03  -0.03  -0.01     0.02   0.03   0.00    -0.04  -0.02   0.00
     8   6     0.01   0.00  -0.01     0.02   0.00   0.00     0.00  -0.01  -0.00
     9   6     0.00   0.01  -0.00     0.03  -0.01  -0.01     0.04   0.00  -0.00
    10   1    -0.21   0.10   0.04    -0.36   0.23   0.09    -0.02   0.21   0.05
    11   1    -0.14  -0.19  -0.03    -0.22  -0.37  -0.06    -0.07   0.20   0.05
    12   1    -0.52  -0.12   0.03    -0.12   0.15   0.04     0.44   0.09  -0.02
    13   1    -0.51  -0.13   0.02    -0.05  -0.19  -0.04    -0.43  -0.12   0.02
    14   1     0.10   0.02  -0.02    -0.16  -0.02  -0.01     0.07   0.03  -0.01
    15   6     0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
    16   1    -0.13  -0.02  -0.02    -0.02  -0.01   0.00    -0.01   0.03   0.01
    17   1    -0.04  -0.05   0.13     0.02   0.00  -0.00    -0.01   0.03   0.01
    18   1     0.14   0.11   0.14    -0.16  -0.06  -0.06    -0.07   0.00   0.02
    19   1     0.06   0.18  -0.04    -0.06  -0.08   0.03    -0.01   0.02  -0.00
    20   1    -0.03  -0.09   0.05    -0.01  -0.01   0.01     0.04  -0.00   0.00
    21   1     0.02   0.12  -0.05    -0.01  -0.00  -0.02     0.00  -0.01   0.06
    22   1    -0.13   0.07   0.07     0.01  -0.00   0.03     0.01  -0.00  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3017.7845              3026.5037              3031.6622
 Red. masses --      1.0695                 1.0359                 1.0798
 Frc consts  --      5.7387                 5.5903                 5.8471
 IR Inten    --     26.6820                31.5739                 7.1691
 RamAct Fr= 1--    143.6524               239.9712                72.8743
  Dep-P Fr= 1--      0.2253                 0.0189                 0.6010
  Dep-U Fr= 1--      0.3677                 0.0372                 0.7508
 Alpha2 Fr= 1--      1.8229                 5.1015                 0.2010
 Beta2  Fr= 1--      8.8032                 1.4862                 9.1187
 AlphaG Fr= 1--     -0.6932                 0.0383                -0.6351
 Gamma2 Fr= 1--     -3.6824                -2.7777                -4.3253
 Delta2 Fr= 1--     -7.7902                -0.0510                -4.7070
 Raman1 Fr= 1--     574.609                959.885                291.497
 ROA1   Fr= 1--    -602.795               -268.295               -565.858
 CID1   Fr= 1--      -1.049                 -0.280                 -1.941
 Raman2 Fr= 1--     105.638                 17.835                109.425
 ROA2   Fr= 1--     -26.056                -66.257                -66.152
 CID2   Fr= 1--      -0.247                 -3.715                 -0.605
 Raman3 Fr= 1--     211.276                 35.670                218.850
 ROA3   Fr= 1--    -602.795               -268.295               -565.858
 CID3   Fr= 1--      -2.853                 -7.522                 -2.586
 RC180  Fr= 1--      -0.265                 -0.926                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.01     0.02  -0.04  -0.06
     8   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.01  -0.01   0.02
     9   6    -0.02  -0.03  -0.06    -0.00  -0.01  -0.01     0.00   0.01   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    13   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.02   0.05   0.08     0.02  -0.05  -0.08    -0.19   0.48   0.71
    15   6     0.00  -0.00   0.01    -0.02   0.01  -0.04    -0.01   0.01   0.00
    16   1     0.00   0.02  -0.10     0.00  -0.01   0.06    -0.00   0.08  -0.36
    17   1    -0.06  -0.01  -0.02    -0.07  -0.01  -0.03     0.15   0.02   0.07
    18   1    -0.03   0.20  -0.12    -0.01   0.05  -0.03     0.01  -0.08   0.04
    19   1     0.24   0.15   0.90     0.04   0.02   0.15    -0.02  -0.01  -0.08
    20   1     0.02  -0.07  -0.10    -0.11   0.33   0.49     0.01  -0.02  -0.03
    21   1    -0.08   0.01   0.01     0.58  -0.06  -0.07     0.16  -0.01  -0.02
    22   1     0.03   0.07  -0.01    -0.20  -0.45   0.06    -0.06  -0.12   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3048.9135              3071.0655              3089.6775
 Red. masses --      1.0680                 1.0892                 1.1042
 Frc consts  --      5.8492                 6.0525                 6.2104
 IR Inten    --     39.8312                32.9652                27.1411
 RamAct Fr= 1--    188.5196               176.3285                72.9184
  Dep-P Fr= 1--      0.1273                 0.1819                 0.6826
  Dep-U Fr= 1--      0.2259                 0.3078                 0.8114
 Alpha2 Fr= 1--      3.0852                 2.5115                 0.0866
 Beta2  Fr= 1--      7.0980                 9.0444                 9.8605
 AlphaG Fr= 1--     -2.5680                 2.3543                -0.0804
 Gamma2 Fr= 1--      2.1365                18.4381               -18.9639
 Delta2 Fr= 1--     14.2433                 9.5656               -14.8823
 Raman1 Fr= 1--     754.078                705.314                291.674
 ROA1   Fr= 1--     660.890               2076.157              -2296.766
 CID1   Fr= 1--       0.876                  2.944                 -7.874
 Raman2 Fr= 1--      85.176                108.533                118.325
 ROA2   Fr= 1--     -62.670                365.990               -336.074
 CID2   Fr= 1--      -0.736                  3.372                 -2.840
 Raman3 Fr= 1--     170.352                217.065                236.651
 ROA3   Fr= 1--     660.890               2076.157              -2296.766
 CID3   Fr= 1--       3.880                  9.565                 -9.705
 RC180  Fr= 1--      -0.548                 -0.384                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.01  -0.02  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.04   0.02  -0.05    -0.03  -0.01  -0.00    -0.05   0.00  -0.06
     9   6     0.00  -0.02   0.01     0.01  -0.06   0.05    -0.00   0.01  -0.02
    10   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    14   1    -0.08   0.22   0.32     0.01  -0.02  -0.02    -0.01   0.01   0.02
    15   6    -0.00   0.01   0.01     0.00  -0.00  -0.00     0.02   0.03   0.00
    16   1     0.00  -0.16   0.72    -0.00   0.02  -0.09    -0.01  -0.11   0.48
    17   1    -0.42  -0.06  -0.18     0.34   0.05   0.14     0.66   0.09   0.25
    18   1    -0.02   0.24  -0.12    -0.09   0.80  -0.40     0.02  -0.19   0.09
    19   1    -0.02  -0.02  -0.05    -0.05  -0.05  -0.17     0.04   0.03   0.14
    20   1     0.02  -0.06  -0.09    -0.01   0.03   0.04     0.03  -0.08  -0.13
    21   1     0.04  -0.00  -0.00    -0.04   0.00   0.00    -0.13   0.02   0.02
    22   1    -0.01  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.34   0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9155              3095.2437              3159.2040
 Red. masses --      1.1019                 1.1020                 1.0859
 Frc consts  --      6.1986                 6.2202                 6.3854
 IR Inten    --     46.9860                37.5166                 8.1638
 RamAct Fr= 1--    129.1769               100.0020                18.3873
  Dep-P Fr= 1--      0.4686                 0.7491                 0.7044
  Dep-U Fr= 1--      0.6382                 0.8566                 0.8266
 Alpha2 Fr= 1--      0.7334                 0.0015                 0.0146
 Beta2  Fr= 1--     13.7393                14.2765                 2.5331
 AlphaG Fr= 1--      0.3400                -0.0009                 0.0364
 Gamma2 Fr= 1--     16.8045                -6.6370                 1.0381
 Delta2 Fr= 1--     10.6676                -4.5890                 0.6437
 Raman1 Fr= 1--     516.708                400.008                 73.549
 ROA1   Fr= 1--    1954.593               -784.006                120.256
 CID1   Fr= 1--       3.783                 -1.960                  1.635
 Raman2 Fr= 1--     164.871                171.318                 30.398
 ROA2   Fr= 1--     317.966               -122.577                 19.765
 CID2   Fr= 1--       1.929                 -0.715                  0.650
 Raman3 Fr= 1--     329.742                342.636                 60.795
 ROA3   Fr= 1--    1954.593               -784.006                120.256
 CID3   Fr= 1--       5.928                 -2.288                  1.978
 RC180  Fr= 1--       0.276                  0.713                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03   0.03   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03   0.01   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.05  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.04  -0.01
     7   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.03   0.00  -0.03     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.33  -0.31  -0.03
    11   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.36  -0.10  -0.06
    12   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.14   0.64   0.15
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.10   0.42   0.10
    14   1     0.04  -0.10  -0.14    -0.02   0.06   0.09    -0.00   0.00   0.01
    15   6    -0.07   0.03   0.05    -0.04  -0.07  -0.01    -0.00  -0.00  -0.00
    16   1     0.00   0.01  -0.03    -0.01  -0.05   0.22    -0.00   0.00  -0.00
    17   1     0.06   0.01   0.02     0.31   0.05   0.12    -0.00  -0.00  -0.00
    18   1    -0.00   0.03  -0.02     0.01  -0.08   0.04    -0.00   0.01  -0.00
    19   1    -0.01  -0.00  -0.02     0.02   0.01   0.07     0.00   0.00   0.00
    20   1     0.11  -0.37  -0.55    -0.08   0.19   0.30    -0.00   0.00   0.00
    21   1     0.71  -0.06  -0.07     0.29  -0.05  -0.04     0.00  -0.00  -0.00
    22   1     0.01   0.06   0.01     0.31   0.69  -0.10     0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3164.0522              3176.7425              3190.6733
 Red. masses --      1.0884                 1.0918                 1.0965
 Frc consts  --      6.4197                 6.4914                 6.5769
 IR Inten    --      1.6939                26.1423                22.3365
 RamAct Fr= 1--    161.7035                75.3992               302.0538
  Dep-P Fr= 1--      0.5170                 0.7480                 0.1148
  Dep-U Fr= 1--      0.6816                 0.8558                 0.2059
 Alpha2 Fr= 1--      0.7357                 0.0025                 5.0997
 Beta2  Fr= 1--     18.3707                10.7550                10.3668
 AlphaG Fr= 1--      0.1793                -0.0125                 0.4632
 Gamma2 Fr= 1--     -0.6259                 0.8759                 1.4813
 Delta2 Fr= 1--     -0.7717                -3.7068                 3.4207
 Raman1 Fr= 1--     646.814                301.597               1208.215
 ROA1   Fr= 1--     -84.784                -34.528                251.663
 CID1   Fr= 1--      -0.131                 -0.114                  0.208
 Raman2 Fr= 1--     220.448                129.060                124.402
 ROA2   Fr= 1--      -8.849                 50.676                  8.185
 CID2   Fr= 1--      -0.040                  0.393                  0.066
 Raman3 Fr= 1--     440.896                258.119                248.804
 ROA3   Fr= 1--     -84.784                -34.528                251.663
 CID3   Fr= 1--      -0.192                 -0.134                  1.011
 RC180  Fr= 1--       0.363                  0.712                 -0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04   0.03   0.00    -0.04  -0.04  -0.00
     2   6    -0.03   0.01   0.00    -0.05   0.01   0.01    -0.06   0.02   0.01
     3   6    -0.01   0.05   0.01    -0.01   0.03   0.01     0.01  -0.02  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.01   0.04   0.01    -0.00   0.02   0.01
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   1     0.10   0.10   0.01    -0.43  -0.39  -0.04     0.48   0.45   0.05
    11   1     0.32  -0.09  -0.05     0.52  -0.14  -0.08     0.64  -0.18  -0.10
    12   1     0.12  -0.54  -0.13     0.09  -0.38  -0.09    -0.05   0.22   0.05
    13   1    -0.17   0.69   0.16     0.10  -0.43  -0.10     0.06  -0.24  -0.06
    14   1     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   725.472361508.552942023.28571
           X            0.99997  -0.00668   0.00349
           Y            0.00669   0.99997  -0.00341
           Z           -0.00346   0.00343   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11939     0.05742     0.04281
 Rotational constants (GHZ):           2.48768     1.19634     0.89199
 Zero-point vibrational energy     504546.9 (Joules/Mol)
                                  120.58960 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    152.56   189.99   305.52   354.23   418.11
          (Kelvin)            525.67   594.26   642.83   771.30   799.00
                              862.74   962.02  1063.81  1098.12  1127.99
                             1133.64  1226.75  1265.71  1307.43  1347.70
                             1384.30  1386.25  1402.08  1487.94  1511.86
                             1566.94  1591.88  1611.17  1701.02  1702.54
                             1713.97  1752.57  1771.63  1851.47  1872.65
                             1906.86  1939.92  1947.42  1960.51  2027.32
                             2135.23  2147.36  2153.29  2159.39  2163.43
                             2182.96  2343.23  2374.51  4341.92  4354.46
                             4361.89  4386.71  4418.58  4445.36  4445.70
                             4453.37  4545.39  4552.37  4570.62  4590.67
 
 Zero-point correction=                           0.192172 (Hartree/Particle)
 Thermal correction to Energy=                    0.200469
 Thermal correction to Enthalpy=                  0.201413
 Thermal correction to Gibbs Free Energy=         0.159320
 Sum of electronic and zero-point Energies=           -388.291447
 Sum of electronic and thermal Energies=              -388.283150
 Sum of electronic and thermal Enthalpies=            -388.282206
 Sum of electronic and thermal Free Energies=         -388.324299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.796             33.754             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.183
 Vibrational            124.019             27.792             18.862
 Vibration     1          0.605              1.944              3.340
 Vibration     2          0.612              1.921              2.916
 Vibration     3          0.643              1.822              2.023
 Vibration     4          0.661              1.769              1.758
 Vibration     5          0.687              1.691              1.470
 Vibration     6          0.739              1.544              1.099
 Vibration     7          0.777              1.442              0.916
 Vibration     8          0.806              1.368              0.806
 Vibration     9          0.891              1.170              0.574
 Vibration    10          0.911              1.128              0.533
 Vibration    11          0.958              1.033              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.522369D-73        -73.282023       -168.738093
 Total V=0       0.129054D+16         15.110772         34.793839
 Vib (Bot)       0.164337D-86        -86.784266       -199.828156
 Vib (Bot)    1  0.193311D+01          0.286256          0.659129
 Vib (Bot)    2  0.154301D+01          0.188369          0.433736
 Vib (Bot)    3  0.934438D+00         -0.029449         -0.067810
 Vib (Bot)    4  0.794157D+00         -0.100094         -0.230474
 Vib (Bot)    5  0.657839D+00         -0.181881         -0.418796
 Vib (Bot)    6  0.499876D+00         -0.301137         -0.693394
 Vib (Bot)    7  0.427378D+00         -0.369188         -0.850086
 Vib (Bot)    8  0.384823D+00         -0.414739         -0.954973
 Vib (Bot)    9  0.296636D+00         -0.527776         -1.215248
 Vib (Bot)   10  0.281144D+00         -0.551072         -1.268890
 Vib (Bot)   11  0.249113D+00         -0.603604         -1.389850
 Vib (V=0)       0.406003D+02          1.608529          3.703776
 Vib (V=0)    1  0.249672D+01          0.397370          0.914979
 Vib (V=0)    2  0.212200D+01          0.326745          0.752359
 Vib (V=0)    3  0.155980D+01          0.193069          0.444557
 Vib (V=0)    4  0.143845D+01          0.157894          0.363565
 Vib (V=0)    5  0.132629D+01          0.122638          0.282384
 Vib (V=0)    6  0.120702D+01          0.081714          0.188154
 Vib (V=0)    7  0.115776D+01          0.063620          0.146490
 Vib (V=0)    8  0.113094D+01          0.053441          0.123051
 Vib (V=0)    9  0.108137D+01          0.033975          0.078230
 Vib (V=0)   10  0.107362D+01          0.030851          0.071038
 Vib (V=0)   11  0.105862D+01          0.024740          0.056967
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.532678D+06          5.726465         13.185673
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 333333333333                                                     11111111111111111111 11111                                         
 111100000000                                                     66555444433333222111 11000999998 87777  6  655   44 3  2 22  11    
 976599974321                                                     52100998065420831988 20853766308 58863  6  053   41 6  9 41  30    
 174950019278                                                     09741724934852718132 06914432790 38439  9  056   73 5  1 62  26    
 
 XXXXXXXXXXXX                                                     XXXXXXXXXXXXXXXXXXXX XXXXXXXXXX  XXXXX  X  XXX   XX X  X  X  X     
 XX XXXXXXXXX                                                       X XXX XX                         XXX           X                 
 XX XXXXXXXXX                                                       X   X                             XX           X                 
 XX  XXXXX XX                                                       X   X                             XX                             
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
  X  XXXXX XX                                                                                         X                              
     XXXXX X                                                                                          X                              
     XX XX X                                                                                          X                              
     XX XX                                                                                            X                              
     XX  X                                                                                            X                              
     XX  X                                                                                            X                              
      X  X                                                                                            X                              
      X                                                                                               X                              
      X                                                                                               X                              
      X                                                                                                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000176   -0.000007274    0.000004377
      2        6           0.000008375   -0.000001666    0.000004004
      3        6          -0.000003316   -0.000002474    0.000002029
      4        6          -0.000006746    0.000019656   -0.000006706
      5        6          -0.000003354    0.000011821   -0.000011281
      6        6          -0.000003151   -0.000005708    0.000001043
      7        6          -0.000000539    0.000005637   -0.000015301
      8        6           0.000001566    0.000001599    0.000009947
      9        6           0.000004447   -0.000008549    0.000008247
     10        1           0.000000267    0.000000763    0.000000439
     11        1           0.000000010   -0.000000731   -0.000000503
     12        1          -0.000000227   -0.000001079   -0.000000359
     13        1          -0.000000236   -0.000000580   -0.000001319
     14        1           0.000000999   -0.000000119    0.000000321
     15        6           0.000000368   -0.000001152    0.000002625
     16        1           0.000006670    0.000001054    0.000000142
     17        1          -0.000005114   -0.000007381   -0.000000162
     18        1           0.000000950    0.000000875    0.000002638
     19        1          -0.000005898   -0.000002005   -0.000005927
     20        1           0.000003422   -0.000004208    0.000005303
     21        1           0.000003465    0.000001757    0.000001758
     22        1          -0.000002134   -0.000000236   -0.000001314
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000019656 RMS     0.000005248
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149677D+03  0.166961D+01 -0.227993D+01
      2   0.166961D+01  0.126403D+03  0.534057D+01
      3  -0.227993D+01  0.534057D+01  0.844680D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.302232D+01 -0.258149D+01  0.275980D+01
      2   0.107706D+02 -0.152707D+02  0.131656D+02
      3   0.128535D+01  0.356071D+02  0.122625D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.846459D+02 -0.134340D+02  0.874422D+01
      2   0.389615D+02  0.551849D+01 -0.567567D+01
      3   0.456844D+02  0.791553D+01 -0.306855D+01
      4  -0.231349D+02 -0.380531D+02 -0.322115D+02
      5   0.229971D+02 -0.324963D+02  0.370154D+02
      6  -0.147099D+02  0.715348D+01 -0.264833D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.681955D+00 -0.157492D+01 -0.699787D+00 -0.545077D+01  0.511215D+00
      2  -0.157492D+01 -0.260863D+01 -0.709257D+00  0.511215D+00 -0.231484D+01
      3  -0.699787D+00 -0.709257D+00 -0.232129D+01  0.117337D+01  0.988511D+00
                 6             7             8             9            10 
      1   0.117337D+01 -0.183039D+01  0.786285D+00 -0.399993D+01 -0.497443D+01
      2   0.988511D+00  0.786285D+00  0.147100D+01 -0.317367D+01  0.138352D+01
      3  -0.202830D+01 -0.399993D+01 -0.317367D+01 -0.862695D+00 -0.543914D+00
                11            12            13            14            15 
      1   0.138352D+01 -0.543914D+00  0.271781D+01  0.208496D+01  0.135752D+01
      2  -0.289378D+01 -0.182658D-01  0.208496D+01  0.201381D+01 -0.610501D+00
      3  -0.182658D-01 -0.270547D+01  0.135752D+01 -0.610501D+00  0.601156D+00
                16            17            18            19            20 
      1   0.179450D+00  0.153168D+01 -0.518483D+01 -0.168250D+01  0.434247D+01
      2   0.153168D+01  0.290922D+00  0.115324D+01  0.434247D+01  0.124805D+01
      3  -0.518483D+01  0.115324D+01  0.171930D+01  0.578365D+00 -0.270471D+00
                21            22            23            24            25 
      1   0.578365D+00 -0.592148D+01  0.798768D+00 -0.196289D+00 -0.966906D+00
      2  -0.270471D+00  0.798768D+00 -0.217900D+01  0.112525D+01 -0.118100D+01
      3   0.661018D+00 -0.196289D+00  0.112525D+01 -0.189382D+01 -0.362315D+00
                26            27            28            29            30 
      1  -0.118100D+01 -0.362315D+00  0.155449D+02 -0.461551D+01 -0.194641D+00
      2   0.109662D+01 -0.364257D+01 -0.461551D+01  0.500516D+01  0.173245D+00
      3  -0.364257D+01 -0.275895D+01 -0.194641D+00  0.173245D+00  0.184264D+01
                31            32            33            34            35 
      1  -0.913541D+01 -0.176182D+01 -0.592182D+00 -0.162406D+01 -0.124174D+01
      2  -0.176182D+01 -0.682596D+00 -0.261960D-01 -0.124174D+01 -0.520671D+00
      3  -0.592182D+00 -0.261960D-01 -0.164551D+00  0.330723D+01 -0.156542D+01
                36            37            38            39            40 
      1   0.330723D+01  0.319154D+01  0.423200D+01  0.865692D+00  0.135426D+02
      2  -0.156542D+01  0.423200D+01  0.655883D+01  0.139331D+01  0.304774D+01
      3  -0.153387D+01  0.865692D+00  0.139331D+01  0.176563D+01  0.221112D+00
                41            42            43            44            45 
      1   0.304774D+01  0.221112D+00  0.294975D+01  0.274489D+00  0.229650D+01
      2   0.552655D+01 -0.355872D+00  0.274489D+00 -0.112712D+01  0.241521D+01
      3  -0.355872D+00  0.105951D+01  0.229650D+01  0.241521D+01  0.454319D+00
                46            47            48            49            50 
      1   0.146923D+01 -0.384742D+01 -0.429026D+00  0.536138D+01 -0.680105D+00
      2  -0.384742D+01 -0.270577D+01  0.423450D+00 -0.680105D+00  0.123193D+01
      3  -0.429026D+00  0.423450D+00  0.122563D+00  0.200958D+00 -0.942154D+00
                51            52            53            54            55 
      1   0.200958D+00  0.477824D+00  0.106058D+01 -0.187027D+01 -0.424188D+01
      2  -0.942154D+00  0.106058D+01 -0.760405D+00  0.357781D+01  0.354768D+01
      3   0.204735D+01 -0.187027D+01  0.357781D+01  0.243552D+01 -0.192408D+00
                56            57            58            59            60 
      1   0.354768D+01 -0.192408D+00  0.505228D+01 -0.476805D+01  0.714528D+00
      2  -0.326024D+01  0.867834D+00 -0.476805D+01 -0.171660D+01  0.177806D+01
      3   0.867834D+00 -0.250260D+01  0.714528D+00  0.177806D+01  0.356712D+01
                61            62            63            64            65 
      1  -0.273392D+01  0.133076D+01 -0.480297D+01 -0.666185D+01 -0.218578D+01
      2   0.133076D+01  0.611372D+00  0.472617D+01 -0.218578D+01  0.193450D+01
      3  -0.480297D+01  0.472617D+01  0.164673D+01 -0.229613D+01  0.195028D+00
                66            67            68            69            70 
      1  -0.229613D+01 -0.178953D+01  0.156930D+01  0.366971D+00 -0.415644D+01
      2   0.195028D+00  0.156930D+01  0.302994D+01 -0.134030D+01 -0.127772D+00
      3   0.610806D+00  0.366971D+00 -0.134030D+01 -0.149642D+01 -0.472457D+00
                71            72            73            74            75 
      1  -0.127772D+00 -0.472457D+00 -0.262861D+01 -0.926218D+00 -0.477814D+00
      2  -0.127025D+00 -0.246372D+01 -0.926218D+00 -0.235768D+01 -0.194852D+01
      3  -0.246372D+01  0.607726D+01 -0.477814D+00 -0.194852D+01 -0.188437D+01
                76            77            78            79            80 
      1  -0.116037D+01 -0.413466D+01 -0.149468D+01 -0.222407D+01 -0.303071D+01
      2  -0.413466D+01 -0.856551D+01  0.160351D+01 -0.303071D+01  0.151106D+01
      3  -0.149468D+01  0.160351D+01 -0.110879D+01 -0.348412D+01 -0.343027D+01
                81            82            83            84            85 
      1  -0.348412D+01 -0.748763D+01 -0.464750D+01 -0.401393D+00 -0.452427D+01
      2  -0.343027D+01 -0.464750D+01 -0.345012D+01 -0.249739D+00 -0.451130D+01
      3  -0.466488D+01 -0.401393D+00 -0.249739D+00 -0.571187D+00 -0.675857D+00
                86            87            88            89            90 
      1  -0.451130D+01 -0.675857D+00 -0.270242D+00 -0.517674D+00 -0.306016D-01
      2  -0.504603D+01 -0.624352D+00 -0.517674D+00 -0.877932D+00 -0.889679D-01
      3  -0.624352D+00 -0.581799D+00 -0.306016D-01 -0.889679D-01 -0.937739D-01
                91            92            93            94            95 
      1  -0.129213D+02  0.248126D+01  0.160366D+01  0.254187D+01 -0.212051D+01
      2   0.248126D+01 -0.113993D+01 -0.306942D+00 -0.212051D+01  0.104254D+01
      3   0.160366D+01 -0.306942D+00 -0.935475D+00 -0.675318D+00  0.340339D+00
                96            97            98            99           100 
      1  -0.675318D+00  0.165260D+01 -0.645766D+00 -0.182994D+00  0.519177D+00
      2   0.340339D+00 -0.645766D+00  0.255131D+00  0.969874D-01 -0.137675D+01
      3   0.310196D+00 -0.182994D+00  0.969874D-01  0.203718D+00 -0.333728D+00
               101           102           103           104           105 
      1  -0.137675D+01 -0.333728D+00 -0.878565D+00  0.741341D+00  0.155379D+00
      2   0.132956D+01  0.442125D+00  0.741341D+00 -0.100296D+02 -0.225128D+01
      3   0.442125D+00  0.239958D+00  0.155379D+00 -0.225128D+01 -0.128268D+01
               106           107           108           109           110 
      1  -0.298368D+00  0.439211D+00  0.275596D-01 -0.140866D+01  0.193983D+01
      2   0.439211D+00 -0.237557D+01 -0.601484D+00  0.193983D+01 -0.198356D+01
      3   0.275596D-01 -0.601484D+00 -0.354351D+00  0.499743D+00 -0.532562D+00
               111           112           113           114           115 
      1   0.499743D+00  0.170082D+01 -0.299137D+01 -0.680971D+00  0.480397D+00
      2  -0.532562D+00 -0.299137D+01  0.989970D+01  0.207757D+01 -0.816607D+00
      3  -0.363666D+00 -0.680971D+00  0.207757D+01  0.123060D+01 -0.262975D+00
               116           117           118           119           120 
      1  -0.816607D+00 -0.262975D+00  0.225603D+01 -0.155646D+01 -0.149567D+01
      2   0.212003D+01  0.541455D+00 -0.155646D+01  0.109811D+01  0.459090D+00
      3   0.541455D+00  0.351309D+00 -0.149567D+01  0.459090D+00  0.146706D+01
               121           122           123           124           125 
      1  -0.352812D+01  0.248678D+01  0.105260D+01 -0.264064D+01  0.136263D+01
      2   0.248678D+01 -0.326106D+01 -0.228919D+01  0.136263D+01 -0.252593D+01
      3   0.105260D+01 -0.228919D+01 -0.304838D+01  0.281977D+01 -0.308964D+01
               126           127           128           129           130 
      1   0.281977D+01 -0.922619D+01  0.200458D+01  0.600750D+00 -0.168002D+01
      2  -0.308964D+01  0.200458D+01  0.285353D+01 -0.134112D+01  0.327852D+01
      3  -0.555218D+01  0.600750D+00 -0.134112D+01  0.226185D+01 -0.152491D+01
               131           132           133           134           135 
      1   0.327852D+01 -0.152491D+01  0.616669D+01 -0.280455D+01  0.331111D+01
      2   0.360176D+01 -0.150842D+01 -0.280455D+01  0.113493D+00 -0.375342D+01
      3  -0.150842D+01 -0.333630D+01  0.331111D+01 -0.375342D+01 -0.166812D+01
               136           137           138           139           140 
      1   0.117922D+01  0.583119D+00 -0.103110D+01  0.542855D+00  0.411039D+00
      2   0.583119D+00 -0.143318D+00 -0.237395D+00  0.411039D+00  0.841226D+00
      3  -0.103110D+01 -0.237395D+00  0.200223D+00 -0.548089D+00 -0.124899D+01
               141           142           143           144           145 
      1  -0.548089D+00 -0.150273D+01 -0.634919D+00  0.230316D+01  0.112011D+02
      2  -0.124899D+01 -0.634919D+00 -0.190856D+01  0.259596D+01  0.220710D+01
      3   0.167436D+01  0.230316D+01  0.259596D+01 -0.893452D+01  0.933469D+00
               146           147           148           149           150 
      1   0.220710D+01  0.933469D+00  0.143384D+01  0.135658D+01  0.134989D-01
      2   0.137998D+01 -0.446198D-01  0.135658D+01  0.498402D+00  0.294150D+00
      3  -0.446198D-01  0.113381D+01  0.134989D-01  0.294150D+00  0.305669D+00
               151           152           153           154           155 
      1   0.339998D+01  0.605690D+00  0.156507D+01 -0.137892D+00  0.918597D+00
      2   0.605690D+00  0.662918D+00  0.550956D+00  0.918597D+00 -0.818563D+00
      3   0.156507D+01  0.550956D+00  0.330752D-01 -0.356034D+00  0.227044D+00
               156           157           158           159           160 
      1  -0.356034D+00  0.204374D+01  0.211558D+01 -0.239670D+00 -0.381989D+00
      2   0.227044D+00  0.211558D+01  0.111855D+02 -0.200395D+01 -0.127021D+00
      3   0.110374D+00 -0.239670D+00 -0.200395D+01  0.128302D+01  0.788898D+00
               161           162           163           164           165 
      1  -0.127021D+00  0.788898D+00  0.252737D+01  0.129291D+01  0.163661D+01
      2  -0.351869D+01  0.227541D+01  0.129291D+01  0.940225D+00  0.945651D+00
      3   0.227541D+01 -0.669674D+00  0.163661D+01  0.945651D+00  0.155101D+01
               166           167           168           169           170 
      1   0.909357D+00  0.182536D+01  0.786692D+00  0.438293D+01  0.286384D+01
      2   0.182536D+01  0.309597D+01  0.155076D+01  0.286384D+01  0.342961D+01
      3   0.786692D+00  0.155076D+01  0.122843D+01  0.311121D+01  0.367431D+01
               171           172           173           174           175 
      1   0.311121D+01  0.475160D+00  0.280716D+00  0.614363D+00  0.103150D+01
      2   0.367431D+01  0.280716D+00 -0.575045D+00  0.120759D+00 -0.401492D+00
      3   0.693015D+01  0.614363D+00  0.120759D+00 -0.978633D+00  0.486740D+00
               176           177           178           179           180 
      1  -0.401492D+00  0.486740D+00  0.965849D+00  0.866230D-03  0.415478D+00
      2   0.100144D+01  0.117266D+01  0.866230D-03  0.150062D+01  0.118296D+01
      3   0.117266D+01  0.279333D+01  0.415478D+00  0.118296D+01  0.615775D+01
               181           182           183           184           185 
      1   0.138964D+02 -0.345066D+01  0.106875D+01 -0.137220D+01  0.145533D+01
      2  -0.345066D+01  0.180091D+01 -0.430548D+00  0.145533D+01 -0.126099D+01
      3   0.106875D+01 -0.430548D+00  0.126613D+01  0.818848D-01  0.219125D+00
               186           187           188           189           190 
      1   0.818848D-01 -0.167343D+01  0.594532D+00  0.975960D+00 -0.207192D+00
      2   0.219125D+00  0.594532D+00 -0.456098D+00  0.308101D-01 -0.103256D+01
      3   0.181710D+00  0.975960D+00  0.308101D-01  0.447992D-01  0.502435D-01
               191           192           193           194           195 
      1  -0.103256D+01  0.502435D-01 -0.143732D+01 -0.313198D+00  0.167003D-01
      2  -0.221223D+01  0.841907D+00 -0.313198D+00 -0.791253D+01  0.205128D+01
      3   0.841907D+00 -0.970365D+00  0.167003D-01  0.205128D+01 -0.134142D+01
               196           197           198 
      1  -0.352306D+00  0.277196D+00 -0.268469D+00
      2   0.277196D+00  0.113522D+01 -0.101209D+01
      3  -0.268469D+00 -0.101209D+01  0.103908D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.215507D+01  0.765983D+00 -0.406137D+01  0.280778D+01 -0.607960D+00
      2   0.259328D+01  0.175047D+01  0.479966D+01 -0.258669D+01 -0.281341D+01
      3  -0.657533D+01 -0.111994D+02 -0.117890D+01  0.883822D+01 -0.361046D+01
                 6             7             8             9            10 
      1  -0.884955D+00 -0.796639D+01  0.526178D+01  0.219817D+01  0.642036D+00
      2   0.636916D+01 -0.358750D+00  0.108843D+02  0.357477D+01 -0.945056D+00
      3   0.141464D+01  0.288870D+01  0.343003D+01 -0.471027D+01  0.521654D+01
                11            12            13            14            15 
      1   0.363522D+00  0.194926D+01 -0.282336D+00 -0.280238D+01  0.199455D+01
      2   0.284172D-02  0.789649D+01 -0.377025D+01  0.813333D+00 -0.253171D+01
      3  -0.960526D+01 -0.376918D+00  0.118436D+02  0.397194D+01 -0.182952D+01
                16            17            18            19            20 
      1   0.446483D+01  0.111065D+02  0.229006D+01  0.881870D+00 -0.103517D+01
      2   0.745209D+01 -0.517623D+01 -0.443741D+01 -0.498046D+01  0.316918D+01
      3   0.368312D+01 -0.133444D+01  0.202632D+01  0.929971D+01 -0.642116D+01
                21            22            23            24            25 
      1   0.287328D+01 -0.770572D+00  0.116437D+01 -0.360929D+01  0.369808D+01
      2  -0.151473D+01  0.165091D+01  0.642938D+00  0.240511D+01 -0.142948D+02
      3  -0.370588D+01  0.627315D+01 -0.761956D+01  0.102899D+00 -0.351209D+01
                26            27            28            29            30 
      1   0.469948D+00 -0.141822D+01  0.355737D+00  0.339165D-02  0.209487D+01
      2   0.327861D+01  0.372260D+01  0.257114D+01 -0.382709D+01 -0.164785D+01
      3   0.105029D+01 -0.575549D+01 -0.607989D+01  0.137467D+02  0.196373D+01
                31            32            33            34            35 
      1   0.289137D+00 -0.340383D+01 -0.110658D+01  0.396051D+01  0.986771D+01
      2  -0.218308D+01  0.933710D+00  0.204116D+00 -0.145598D+02 -0.327807D+00
      3   0.122110D+02 -0.112253D+02  0.153545D+01 -0.603824D+00 -0.162804D+01
                36            37            38            39            40 
      1   0.757809D+00 -0.217554D+01 -0.238164D+00 -0.154493D+01  0.547918D+00
      2   0.789555D+00 -0.220688D-01  0.196935D+00 -0.179066D+01  0.439142D+01
      3  -0.248339D+01 -0.236547D+01  0.988705D+01  0.268815D+01  0.119862D+02
                41            42            43            44            45 
      1  -0.834842D+00 -0.599276D+00 -0.443271D+01  0.784037D+01  0.171474D+01
      2  -0.311156D+01 -0.127310D+01 -0.142628D+02 -0.902464D+00  0.187603D+00
      3   0.201132D+02  0.152623D+01 -0.114094D+01  0.335178D+01  0.481302D+01
                46            47            48            49            50 
      1   0.915699D+00 -0.102829D+01 -0.101803D+01 -0.515595D+00  0.613126D-01
      2   0.529738D+00  0.188921D+01 -0.673182D+00  0.208642D+01  0.234989D+01
      3  -0.517391D+01 -0.151232D+02 -0.211305D+01  0.354400D+00  0.390459D+01
                51            52            53            54            55 
      1  -0.354887D+01  0.266661D+01  0.780766D+00 -0.102225D+01 -0.208699D+01
      2  -0.524613D+01 -0.109709D+02 -0.887468D+01 -0.367263D+01 -0.943851D+00
      3  -0.169068D+01 -0.225701D+01 -0.221976D+01  0.545864D+01 -0.183140D+00
                56            57            58            59            60 
      1   0.723315D+00 -0.317753D+01  0.272316D+00  0.462965D+01  0.571646D+00
      2   0.345522D+01 -0.150292D+01  0.436256D+01  0.339366D+00  0.674059D+01
      3  -0.415029D+01  0.806523D+00  0.103371D+02  0.129829D+02 -0.521211D+01
                61            62            63            64            65 
      1  -0.669620D+01  0.742512D+01  0.451866D+00  0.439378D+01 -0.221467D+01
      2  -0.160340D+02  0.102184D+02  0.121015D+01 -0.129319D+02 -0.898497D+00
      3   0.235319D+01 -0.583670D+01 -0.489349D+01  0.174230D+00 -0.113604D+02
                66            67            68            69            70 
      1  -0.721704D+00 -0.797999D+00 -0.245685D+01  0.136544D+01  0.120291D+01
      2   0.148570D+01  0.428667D+00 -0.568040D+00 -0.414058D+01 -0.941003D+01
      3  -0.372155D+01 -0.722465D+01 -0.758504D+01  0.518176D+01 -0.682529D+01
                71            72            73            74            75 
      1   0.561770D+01 -0.468380D+01  0.184408D+01  0.531862D+01  0.411842D+01
      2  -0.769225D+01  0.136025D+02  0.128857D+00 -0.162918D+01 -0.189874D+00
      3   0.349589D+01  0.556738D+01 -0.504308D+01 -0.406352D+01  0.109039D+01
                76            77            78            79            80 
      1   0.197911D+01 -0.884283D+01  0.863941D+00  0.112171D+02  0.140384D+02
      2  -0.187385D+01  0.302392D+01  0.167784D+00 -0.863929D+01 -0.294021D+01
      3   0.118736D+02 -0.895611D+00 -0.781827D+01 -0.523577D+00 -0.142312D+02
                81            82            83            84            85 
      1   0.103477D+02  0.267462D+00  0.485018D+00 -0.234517D+01 -0.405938D+00
      2  -0.361298D+01 -0.496171D+00 -0.438597D+00  0.358403D+01  0.887912D+00
      3  -0.562509D+01 -0.192947D+01 -0.544427D+01  0.507278D-01 -0.421692D+01
                86            87            88            89            90 
      1  -0.454079D-01 -0.256354D+01  0.114270D+01  0.130535D+01 -0.210353D+00
      2   0.949505D+00  0.303626D+01 -0.138379D+01 -0.937117D+00  0.195660D+00
      3  -0.904608D+01 -0.793053D+00 -0.108815D+01 -0.161976D+01  0.628954D-01
                91            92            93            94            95 
      1  -0.199602D+00 -0.587156D+00  0.119152D+01 -0.511257D-01  0.195126D+00
      2  -0.190444D+01  0.347165D+00  0.590597D+01  0.161830D+01 -0.769304D+00
      3   0.202082D+01 -0.537056D+01 -0.253384D+00 -0.417918D+01  0.290930D+01
                96            97            98            99           100 
      1  -0.698572D+00 -0.845275D+00  0.549282D+00 -0.128794D+00  0.298226D+00
      2  -0.166830D+01 -0.213423D+01  0.493526D+00 -0.661087D+00  0.684734D+00
      3   0.749382D+00 -0.183886D+01  0.146811D+01  0.142767D+00 -0.383735D+01
               101           102           103           104           105 
      1   0.518481D-01  0.959851D+00 -0.257830D+00  0.836679D+00 -0.461441D+01
      2  -0.100072D+01 -0.592555D-01 -0.129531D+01  0.251051D+01  0.615429D+00
      3   0.415134D+01  0.105882D+01  0.619333D+01 -0.129061D+02 -0.303079D+01
               106           107           108           109           110 
      1  -0.305844D+00  0.210409D+01 -0.717836D+00 -0.206983D+00  0.150159D+00
      2  -0.131504D+01  0.574741D+00 -0.243453D-01 -0.372651D+00  0.440833D+00
      3   0.143570D+01 -0.333434D+01 -0.472150D+00  0.812469D+00 -0.108003D+01
               111           112           113           114           115 
      1   0.117891D+01  0.120464D+00  0.661053D+00 -0.458081D+01 -0.308321D+00
      2   0.101619D+01  0.203831D+00 -0.331914D+01 -0.272555D+01 -0.791615D+00
      3  -0.329229D+00  0.474853D+00  0.149461D+02  0.305458D+01 -0.166399D+00
               116           117           118           119           120 
      1   0.192915D+01 -0.713623D+00 -0.828744D+00 -0.566059D+00  0.153966D+01
      2  -0.583853D-01 -0.412980D+00 -0.104004D+01  0.368459D+00  0.302770D+01
      3   0.330828D+01  0.355600D+00  0.126228D+01 -0.325328D+01  0.161391D+00
               121           122           123           124           125 
      1   0.326860D+00  0.510987D+00 -0.295611D+01  0.235887D+01  0.920115D+00
      2  -0.114918D+00 -0.263750D+01 -0.546746D+01  0.173029D+01 -0.430423D+01
      3   0.885158D+00  0.341376D+01  0.389479D+01  0.107139D+01  0.501183D+01
               126           127           128           129           130 
      1  -0.386730D+01  0.311330D+01  0.197230D+01  0.309908D+01 -0.191969D+01
      2  -0.839339D+01  0.122764D+02 -0.715786D+01  0.839129D+01 -0.698788D+01
      3   0.403522D+01  0.102918D+02 -0.143656D+02  0.195337D+01 -0.579063D+01
               131           132           133           134           135 
      1   0.425374D+01 -0.117415D+02  0.283335D+01 -0.643841D+01 -0.683282D+01
      2  -0.583250D+01 -0.780188D+01  0.612348D+01 -0.826217D+01 -0.618538D+01
      3  -0.185028D+02  0.767297D+01 -0.818017D-01  0.755240D+01  0.508487D+01
               136           137           138           139           140 
      1   0.642859D-01  0.734918D+00  0.218448D-01  0.885713D+00  0.265907D-01
      2  -0.487009D+00 -0.163870D+00  0.860665D+00 -0.414905D+00 -0.256946D+01
      3  -0.762805D+00  0.700649D+00 -0.194428D+00  0.294076D+01 -0.112188D+01
               141           142           143           144           145 
      1  -0.141068D+01 -0.140913D+01  0.216113D+01  0.678779D+01 -0.242691D+01
      2   0.349833D+01  0.954203D+00  0.486429D+01 -0.188133D+02  0.933072D+01
      3   0.234809D+01 -0.951785D+00  0.510013D+01 -0.285808D+01  0.686781D+01
               146           147           148           149           150 
      1  -0.825560D+00 -0.161473D+01 -0.838260D+00 -0.484953D+00 -0.132717D+01
      2   0.127518D+01  0.647706D+01  0.100346D+01  0.159555D+01  0.112972D+01
      3  -0.552599D+01  0.118188D+01 -0.645679D+00  0.255685D+00 -0.128431D+01
               151           152           153           154           155 
      1  -0.183069D+01 -0.703546D-01 -0.803677D+00  0.407315D+00 -0.983692D+00
      2   0.456262D+01  0.161951D+01  0.175924D+01  0.249973D+00  0.654268D+00
      3   0.254411D+01 -0.279757D+01  0.222553D+00 -0.145157D+01  0.166803D+00
               156           157           158           159           160 
      1  -0.188885D-01  0.216703D+01  0.660548D+01 -0.593804D+01 -0.222895D+01
      2   0.111386D+01 -0.673200D+00 -0.252570D+01  0.134502D+01  0.322822D+00
      3  -0.136955D+01  0.471438D+01 -0.903660D+01  0.234859D+01 -0.214287D+01
               161           162           163           164           165 
      1  -0.460850D+01  0.237941D+01 -0.339566D+01 -0.135274D+01 -0.378917D+01
      2   0.160601D+01 -0.873095D+00 -0.564221D+00  0.766873D+00  0.261264D+01
      3   0.517641D+01 -0.961328D+00  0.649832D+01  0.327009D+00  0.227823D+01
               166           167           168           169           170 
      1  -0.149466D+01 -0.172867D+01 -0.324131D+01 -0.739989D+01 -0.580046D+01
      2   0.694746D+00  0.112859D+01  0.149477D+01  0.139129D+01  0.319613D+01
      3  -0.307605D+00 -0.220654D+00  0.158486D+00  0.721823D+01  0.234597D+01
               171           172           173           174           175 
      1  -0.160112D+02  0.135261D+01 -0.145845D+01 -0.142669D+01 -0.596664D+00
      2   0.678039D+01  0.166572D+01 -0.263337D+00 -0.227541D+01 -0.974419D+00
      3   0.256433D+01 -0.963294D+00  0.849805D+00 -0.693051D+00  0.107341D+01
               176           177           178           179           180 
      1   0.514753D+01  0.483966D+01 -0.152080D+00  0.680627D+01  0.107579D+02
      2   0.363518D+01  0.666975D+01 -0.312046D+01  0.376430D+01  0.143979D+02
      3  -0.265234D+01 -0.363593D+01 -0.642100D+00 -0.433301D+01 -0.381160D+01
               181           182           183           184           185 
      1   0.263395D+00  0.106169D+01  0.251348D+01  0.903584D+00 -0.604989D+00
      2  -0.795042D+01  0.948231D+00  0.623039D+01  0.130239D+01 -0.561108D-01
      3  -0.143769D+02 -0.316609D+01 -0.311245D+00  0.138594D-01  0.182659D+01
               186           187           188           189           190 
      1  -0.228175D+00  0.124866D+01  0.102304D+01  0.216744D+00 -0.132430D+01
      2   0.587920D-01  0.141582D+01  0.314279D+00 -0.475661D+00  0.146768D+01
      3  -0.545286D+00  0.637394D+00 -0.316256D+00 -0.190018D+01  0.546508D+01
               191           192           193           194           195 
      1  -0.134082D+01 -0.182196D+01 -0.122923D+01 -0.495113D+01 -0.282020D+01
      2   0.278559D+01 -0.151349D+01  0.224389D+01  0.628024D+01 -0.288013D+01
      3   0.709568D+01 -0.166441D+01  0.718756D+01  0.209381D+02 -0.528273D+01
               196           197           198 
      1  -0.385012D+00  0.915091D+00  0.118615D+01
      2  -0.151323D+01 -0.217854D+01  0.247672D+01
      3  -0.571431D-01 -0.364007D+01  0.313748D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.298292D+01 -0.228249D+02 -0.341699D+01  0.296216D+02  0.212316D+00
      2  -0.216539D+01  0.161067D+02 -0.136829D+01 -0.283558D+02 -0.400037D+01
      3   0.514831D+01  0.671816D+01  0.478528D+01 -0.126571D+01  0.378806D+01
      4  -0.203093D+02  0.110133D+02  0.496853D+01  0.121812D+01 -0.156209D+02
      5   0.171676D+01  0.305167D+01  0.110391D+02 -0.695302D+01 -0.860790D+01
      6   0.236551D+01  0.296886D+01  0.943234D+01 -0.813616D+01 -0.469021D+01
                 6             7             8             9            10 
      1  -0.736450D+00  0.115055D+02  0.383008D+01  0.674402D+01 -0.109009D+02
      2   0.243702D+01 -0.124629D+02 -0.621774D+01 -0.109382D+02  0.667836D+01
      3  -0.170057D+01  0.957433D+00  0.238767D+01  0.419419D+01  0.422252D+01
      4  -0.106894D+02 -0.160661D+01 -0.105575D+02  0.132593D+02  0.762344D+01
      5   0.130837D+02  0.265034D+02  0.160166D+02  0.715239D+01  0.714404D+01
      6   0.290661D+01  0.874089D+01  0.116184D+02 -0.284874D+01  0.361571D+00
                11            12            13            14            15 
      1   0.726313D+01  0.792209D+01 -0.217714D+02 -0.193601D+02 -0.678535D+01
      2  -0.466691D+01 -0.287287D+01  0.184689D+02  0.177533D+02  0.831854D+01
      3  -0.259622D+01 -0.504922D+01  0.330255D+01  0.160681D+01 -0.153319D+01
      4   0.244781D+02 -0.292564D+00 -0.205876D+02  0.127028D+02  0.823514D+01
      5  -0.477348D+00  0.172149D+02 -0.118295D+02  0.561750D+01 -0.507071D+01
      6  -0.265444D+00 -0.426243D+01  0.677719D+01  0.399495D+01 -0.358798D+01
                16            17            18            19            20 
      1   0.436899D+01 -0.949239D+01  0.129645D+02  0.980430D+01  0.455630D+01
      2   0.216867D+01  0.673863D+01 -0.178584D+02 -0.790774D+01 -0.676912D+01
      3  -0.653766D+01  0.275375D+01  0.489387D+01 -0.189655D+01  0.221281D+01
      4  -0.141059D+02  0.382793D+01 -0.359617D+01  0.916644D+01 -0.229271D+02
      5   0.349045D+02 -0.616781D+01 -0.908594D+01 -0.195514D+01 -0.158911D+01
      6  -0.209131D+01  0.611323D+01 -0.339939D+01 -0.744093D+00  0.150142D+01
                21            22            23            24            25 
      1  -0.194359D+01  0.562191D+01  0.110254D+02  0.561486D+01 -0.162749D+01
      2   0.202580D+01  0.975459D+00 -0.165755D+02 -0.903395D+01  0.191514D+01
      3  -0.822084D-01 -0.659737D+01  0.555008D+01  0.341909D+01 -0.287649D+00
      4  -0.372963D+01  0.187879D+02  0.103318D+02  0.475912D+00  0.986465D+00
      5  -0.558477D+01  0.496470D+00  0.957414D+00  0.325102D+01  0.247197D+01
      6  -0.563468D+01  0.362304D+01 -0.133053D+02  0.543464D+01 -0.396286D-01
                26            27            28            29            30 
      1   0.411945D+01 -0.145983D+02 -0.217284D+02  0.914887D+01  0.275581D+01
      2  -0.109634D+02  0.322593D+00  0.135920D+02 -0.526021D+01 -0.187144D+00
      3   0.684392D+01  0.142757D+02  0.813644D+01 -0.388866D+01 -0.256867D+01
      4   0.329208D+01  0.951706D+01 -0.132050D+02  0.117724D+02  0.392442D+00
      5   0.806533D+01  0.797235D+01  0.468401D+01 -0.158482D+01 -0.112227D+01
      6   0.141288D+02  0.619788D+01 -0.354445D+01 -0.736100D-02 -0.284169D+01
                31            32            33            34            35 
      1  -0.169877D+01 -0.139783D+01 -0.117570D+00  0.878882D+01 -0.113158D+01
      2   0.709864D+01  0.771161D+01  0.195063D+01 -0.132392D+01 -0.382425D+00
      3  -0.539988D+01 -0.631378D+01 -0.183306D+01 -0.746491D+01  0.151400D+01
      4  -0.325134D+01  0.788519D+01  0.680488D+00 -0.471256D+01  0.104134D+01
      5  -0.301265D+01 -0.801032D+00 -0.919520D+00  0.423638D+01 -0.396764D+00
      6   0.503607D+01  0.237591D+01  0.185294D+01 -0.147092D+01  0.698764D+01
                36            37            38            39            40 
      1  -0.958849D+01 -0.154499D+02 -0.250215D+02 -0.477489D+01 -0.775942D+01
      2  -0.287013D+01  0.113244D+02  0.180304D+02  0.286184D+01 -0.173387D+01
      3   0.124586D+02  0.412551D+01  0.699111D+01  0.191305D+01  0.949329D+01
      4  -0.302088D+01 -0.386021D+01 -0.508929D+01  0.213037D+01  0.281429D+01
      5   0.113458D+01 -0.832255D+00  0.233293D+01 -0.142545D+01  0.502963D+01
      6  -0.759097D+00  0.665429D+01  0.401438D+01  0.292872D+01 -0.610586D+01
                41            42            43            44            45 
      1  -0.991551D+01  0.307129D+01 -0.279847D+00  0.575588D+01 -0.103492D+02
      2   0.103774D+02  0.377066D+00 -0.109695D+01 -0.406092D+01  0.898313D+00
      3  -0.461886D+00 -0.344836D+01  0.137679D+01 -0.169496D+01  0.945086D+01
      4  -0.537306D+01 -0.193472D+01  0.117765D+01  0.226548D+00 -0.194085D+01
      5  -0.161296D+01 -0.142348D+01  0.531042D+01 -0.336723D+01  0.316292D+00
      6   0.292411D+00  0.256143D+01  0.352684D+00  0.889343D+01 -0.176115D+01
                46            47            48            49            50 
      1   0.151625D+02  0.161601D+02 -0.124502D+01 -0.197367D+02  0.141640D+02
      2  -0.134271D+02 -0.106959D+02 -0.893359D+00  0.164656D+02 -0.202705D+02
      3  -0.173533D+01 -0.546419D+01  0.213838D+01  0.327111D+01  0.610646D+01
      4   0.456564D+01 -0.160654D+02 -0.583450D+01  0.126725D+02 -0.153162D+01
      5   0.373273D+01 -0.499502D+01 -0.421141D+01  0.115706D+01  0.478250D+01
      6  -0.708289D+01  0.225567D+01  0.452429D+00  0.375382D+01 -0.118569D+02
                51            52            53            54            55 
      1   0.383733D+01 -0.607407D+01 -0.103339D+01 -0.723643D+01  0.209741D+02
      2  -0.763368D+01  0.808112D+01 -0.767799D+01 -0.433090D+01 -0.101460D+02
      3   0.379635D+01 -0.200706D+01  0.871138D+01  0.115673D+02 -0.108281D+02
      4   0.503095D+01 -0.221182D+01  0.101905D+02 -0.138644D+02  0.132801D+02
      5  -0.982629D+01  0.862871D+01 -0.129211D+02 -0.763554D+01 -0.202949D+01
      6   0.577427D+01 -0.452430D+01  0.132239D+02  0.349523D+01  0.350070D+01
                56            57            58            59            60 
      1  -0.542419D+01  0.356554D+01 -0.485568D+01 -0.568655D+01  0.415764D+01
      2   0.308746D+01 -0.172152D+01 -0.438067D+00  0.486151D+01 -0.457948D+01
      3   0.233673D+01 -0.184402D+01  0.529374D+01  0.825041D+00  0.421839D+00
      4  -0.136213D+02  0.303410D+01 -0.260334D+02 -0.560278D+01  0.612747D+01
      5   0.358529D+01 -0.117884D+02  0.594258D+01  0.754620D+01  0.161618D+02
      6  -0.194261D+01  0.868251D+01  0.280030D+01 -0.426486D+01 -0.139490D+02
                61            62            63            64            65 
      1  -0.667640D+01  0.667089D+01  0.190429D+01 -0.357102D+02 -0.130894D+02
      2   0.243895D-01  0.732530D+00 -0.137192D+01  0.113841D+02  0.980665D+01
      3   0.665201D+01 -0.740342D+01 -0.532366D+00  0.243261D+02  0.328279D+01
      4   0.125220D+02 -0.124274D+01  0.245331D+02 -0.168458D+02  0.112667D+01
      5  -0.257248D+02  0.222887D+02  0.563597D+01 -0.109167D+02  0.613406D-02
      6   0.198963D+02 -0.168006D+02 -0.904485D+01 -0.392445D+01  0.596564D+00
                66            67            68            69            70 
      1  -0.117447D+02 -0.103729D+02  0.680779D+01  0.372676D-01 -0.218669D+02
      2   0.732862D+01  0.942443D+01  0.909748D+00 -0.635399D+01  0.920881D+01
      3   0.441606D+01  0.948499D+00 -0.771754D+01  0.631673D+01  0.126581D+02
      4  -0.320869D+01  0.442881D+01  0.140524D+02 -0.401677D+01 -0.727342D+01
      5   0.317988D+01  0.239592D+01 -0.653134D+01 -0.668447D+01 -0.147430D+01
      6   0.231124D+00 -0.220746D+01 -0.205158D+01 -0.386565D+01 -0.359167D+01
                71            72            73            74            75 
      1  -0.193738D+01  0.621771D+01  0.414013D+01  0.116322D+02  0.857370D+01
      2  -0.952554D+01  0.126706D+02  0.354969D+01 -0.481090D+01 -0.734205D+01
      3   0.114629D+02 -0.188883D+02 -0.768983D+01 -0.682130D+01 -0.123165D+01
      4   0.202984D+01 -0.120902D+02  0.251071D+01  0.340837D+00 -0.316826D+01
      5  -0.109950D+02  0.258277D+02 -0.984149D-01 -0.497562D+01 -0.733060D+01
      6  -0.766568D+00  0.175263D+02 -0.442053D+01 -0.894845D+01 -0.787567D+01
                76            77            78            79            80 
      1   0.218541D+02  0.285069D+02 -0.764488D+01  0.148247D+02 -0.663570D+01
      2  -0.192654D+02 -0.418575D+02  0.139853D+02 -0.674017D+01  0.199193D+02
      3  -0.258876D+01  0.133506D+02 -0.634043D+01 -0.808450D+01 -0.132836D+02
      4  -0.299993D+01 -0.113006D+02  0.142284D+01 -0.713226D+01 -0.227381D+01
      5  -0.731974D+01  0.244602D+01 -0.200479D+01 -0.123549D+02 -0.101189D+02
      6  -0.315843D+01  0.125314D+02 -0.612269D+01 -0.172582D+02 -0.192114D+02
                81            82            83            84            85 
      1   0.124959D+02  0.398039D+02  0.214043D+02  0.232661D+01  0.161402D+02
      2  -0.779453D+01 -0.131248D+02 -0.390362D+01 -0.101772D+01  0.215657D+01
      3  -0.470142D+01 -0.266792D+02 -0.175006D+02 -0.130888D+01 -0.182967D+02
      4  -0.113026D+02  0.435956D+02  0.328223D+02  0.241254D+01  0.375191D+02
      5  -0.154943D+02  0.509921D+01  0.268900D+01  0.655827D+01  0.553947D+01
      6  -0.202753D+02  0.617801D+00  0.503436D+00  0.295531D+01  0.254629D+01
                86            87            88            89            90 
      1   0.110508D+02  0.161262D+01  0.194333D-01  0.338331D+00  0.528875D+00
      2   0.780313D+01 -0.442763D+00  0.135750D+01  0.137357D+01  0.359862D+00
      3  -0.188539D+02 -0.116986D+01 -0.137693D+01 -0.171190D+01 -0.888737D+00
      4   0.388245D+02  0.445497D+01  0.425239D+01  0.468488D+01  0.257433D+01
      5   0.518458D+01  0.471201D+01  0.223695D+01  0.148236D+01  0.723344D+00
      6   0.245590D+01  0.429175D+01  0.145676D+01  0.175507D+01  0.117263D+01
                91            92            93            94            95 
      1   0.937657D+02 -0.169139D+02 -0.100304D+02 -0.150794D+02  0.113819D+02
      2  -0.529202D+02  0.859759D+01  0.678855D+01  0.656992D+01 -0.478706D+01
      3  -0.408455D+02  0.831634D+01  0.324183D+01  0.850947D+01 -0.659479D+01
      4  -0.267366D+02  0.127758D+02  0.294374D+01  0.201823D+02 -0.946875D+01
      5  -0.152532D+02  0.280414D+01  0.105960D+02  0.548767D+01 -0.301206D+01
      6   0.879043D-01 -0.631961D+00 -0.123524D+01 -0.175205D+01  0.672932D+00
                96            97            98            99           100 
      1   0.299823D+01 -0.116249D+02  0.371101D+01  0.342871D+01 -0.401233D+01
      2  -0.212961D+01  0.647807D+01 -0.205577D+01 -0.217729D+01  0.569271D+01
      3  -0.868613D+00  0.514684D+01 -0.165523D+01 -0.125141D+01 -0.168037D+01
      4  -0.285823D+01  0.624473D+01 -0.303447D+01 -0.198663D+01 -0.172827D+00
      5  -0.268779D+01  0.437729D+01 -0.989851D+00 -0.243100D+01  0.102970D+00
      6   0.214890D+01 -0.758117D+00  0.100088D+01  0.725015D+00  0.218331D+01
               101           102           103           104           105 
      1   0.708817D+01  0.246483D+01  0.393446D+01 -0.398367D+02 -0.940432D+01
      2  -0.726307D+01 -0.178958D+01 -0.397048D+01  0.543065D+02  0.964809D+01
      3   0.174904D+00 -0.675254D+00  0.360187D-01 -0.144698D+02 -0.243765D+00
      4   0.754417D+01  0.128658D+01  0.537750D+01  0.115492D+02  0.298358D+01
      5   0.103941D+01  0.150176D+01  0.986761D+00  0.380149D+01  0.180053D+01
      6  -0.312635D+01 -0.158488D+01 -0.949833D+00  0.166832D+02  0.100989D+02
               106           107           108           109           110 
      1   0.112209D+01 -0.923285D+01 -0.388476D+01  0.180693D+01 -0.264805D+01
      2  -0.114619D+01  0.111761D+02  0.425417D+01  0.363775D+01 -0.354468D+01
      3   0.240963D-01 -0.194325D+01 -0.369414D+00 -0.544468D+01  0.619273D+01
      4   0.125423D+01  0.191829D+01 -0.646672D+00 -0.127043D+02  0.172188D+02
      5   0.677573D+00  0.386128D+00 -0.212283D+00 -0.289494D+01  0.371240D+01
      6  -0.318707D+00  0.639902D+01  0.389310D+01  0.262852D+01 -0.300518D+01
               111           112           113           114           115 
      1  -0.345388D+00  0.276386D+01 -0.240216D+02 -0.512119D+01  0.144961D+00
      2  -0.327139D+00 -0.101056D+02  0.433142D+02  0.639358D+01 -0.174347D+01
      3   0.672526D+00  0.734174D+01 -0.192926D+02 -0.127238D+01  0.159851D+01
      4   0.392131D+01  0.190210D+02 -0.427328D+02 -0.885490D+01  0.491504D+01
      5   0.344348D+01  0.389198D+01 -0.799060D+01 -0.511296D+01  0.151254D+01
      6  -0.214438D+01 -0.439743D+01  0.137988D+02  0.930323D+01 -0.185443D+01
               116           117           118           119           120 
      1  -0.427614D+01 -0.296400D+01  0.465501D+01 -0.208433D+01 -0.332975D+01
      2   0.733942D+01  0.365578D+01 -0.379486D+01  0.122253D+01  0.262678D+01
      3  -0.306328D+01 -0.691778D+00 -0.860144D+00  0.861803D+00  0.702964D+00
      4  -0.100643D+02 -0.280740D+01 -0.907172D+01  0.990307D+01  0.477458D+01
      5  -0.253342D+01 -0.163117D+01 -0.859332D+01  0.426202D+01  0.116783D+02
      6   0.566586D+01  0.375730D+01  0.575721D+01 -0.277173D+01 -0.455587D+01
               121           122           123           124           125 
      1   0.951347D+00 -0.617294D+01 -0.566554D+01 -0.418095D+00 -0.571908D+01
      2  -0.102981D+01  0.614698D+01  0.323700D+01  0.374397D+01  0.311955D+00
      3   0.784611D-01  0.259584D-01  0.242854D+01 -0.332588D+01  0.540712D+01
      4   0.146827D+02 -0.146624D+02 -0.982502D+01  0.835460D+01 -0.107015D+02
      5   0.631679D+01 -0.987124D+01 -0.130625D+02  0.169874D+02 -0.130489D+02
      6  -0.619000D+01  0.129912D+02  0.152103D+02 -0.102351D+02  0.147914D+02
               126           127           128           129           130 
      1  -0.984168D+01 -0.576065D+02  0.233403D+02 -0.524873D+01  0.132998D+02
      2  -0.577324D+01  0.225192D+02 -0.196781D+02  0.105509D+01 -0.103272D+02
      3   0.156149D+02  0.350873D+02 -0.366217D+01  0.419364D+01 -0.297261D+01
      4  -0.135053D+02  0.304361D+02  0.593150D+01 -0.492986D+01  0.129000D+02
      5  -0.232590D+02 -0.693686D+01 -0.186525D+01  0.111476D+02 -0.571323D+01
      6   0.201063D+02 -0.182040D+01  0.805370D+01 -0.595195D+01  0.701313D+01
               131           132           133           134           135 
      1   0.234627D+02 -0.113257D+01  0.340511D+01 -0.288455D+01  0.783020D+01
      2  -0.256312D+02  0.161996D+02 -0.327858D+01  0.126387D+02  0.805486D+01
      3   0.216843D+01 -0.150670D+02 -0.126532D+00 -0.975411D+01 -0.158851D+02
      4   0.582674D+01 -0.466289D+01 -0.171018D+02  0.206853D+01 -0.229844D+02
      5  -0.664375D+00 -0.155198D+02  0.196961D+02 -0.194624D+02 -0.321629D+01
      6   0.913198D+01  0.565370D+01 -0.137492D+02  0.825215D+01 -0.452123D+01
               136           137           138           139           140 
      1   0.462003D+01  0.354953D+01 -0.424828D+01  0.152993D+01 -0.527875D+01
      2  -0.479724D+01 -0.236274D+01  0.253011D+01 -0.136803D+01  0.125845D+01
      3   0.177212D+00 -0.118679D+01  0.171816D+01 -0.161907D+00  0.402031D+01
      4   0.414547D+01  0.160230D+01 -0.321686D+01  0.444614D+01  0.368558D+01
      5  -0.546585D+01 -0.272378D+01  0.688191D+01 -0.352589D+01 -0.524858D+01
      6  -0.291264D+01 -0.524730D+00 -0.589950D-01 -0.240189D+01 -0.652800D+01
               141           142           143           144           145 
      1   0.357470D+01 -0.336417D+01  0.451208D+01 -0.139087D+02  0.679459D+02
      2  -0.197052D+00  0.824719D+01  0.243845D+01 -0.203132D+02 -0.327551D+02
      3  -0.337765D+01 -0.488302D+01 -0.695054D+01  0.342219D+02 -0.351908D+02
      4  -0.626064D+01 -0.627121D+01 -0.962732D+01  0.126670D+02  0.271111D+02
      5   0.691520D+01  0.158675D+02  0.114869D+02 -0.387441D+02  0.193491D+01
      6   0.113762D+02  0.646494D+01  0.105364D+02 -0.228135D+02  0.852647D+00
               146           147           148           149           150 
      1   0.104822D+02  0.622956D+01  0.570937D+01  0.598049D+01  0.118973D+00
      2  -0.330314D+01 -0.209995D+01 -0.202852D+00 -0.567239D+00  0.137209D+01
      3  -0.717909D+01 -0.412961D+01 -0.550652D+01 -0.541325D+01 -0.149106D+01
      4   0.146618D+02  0.142104D+01  0.131058D+02  0.543541D+01  0.193711D+01
      5  -0.509759D+00  0.907541D+01 -0.256509D+00  0.159312D+01  0.164042D+01
      6  -0.337709D+00  0.260200D+01 -0.219884D+00  0.921731D+00  0.203495D+01
               151           152           153           154           155 
      1   0.158253D+02  0.221669D+01  0.626132D+01 -0.537491D+00  0.500228D+01
      2  -0.758349D+01  0.106122D+01 -0.531728D+01  0.348010D+01 -0.564065D+01
      3  -0.824183D+01 -0.327791D+01 -0.944044D+00 -0.294261D+01  0.638375D+00
      4   0.708736D+01  0.458563D+01  0.463551D+01  0.139950D+01  0.835596D+01
      5   0.109256D+02  0.322994D+01  0.210795D+01 -0.550684D+00 -0.638596D+00
      6   0.303102D+01  0.193881D+01 -0.310176D+00 -0.261502D+01  0.151433D+01
               156           157           158           159           160 
      1  -0.229841D+01 -0.516048D+01 -0.418914D+02  0.773672D+01 -0.111438D+01
      2   0.170488D+01  0.904149D+01  0.676797D+02 -0.121756D+02 -0.160162D+01
      3   0.593527D+00 -0.388101D+01 -0.257883D+02  0.443887D+01  0.271600D+01
      4  -0.171545D+01  0.101078D+02  0.189290D+02 -0.314029D+01 -0.332980D+01
      5   0.279026D+01 -0.149227D+01 -0.295649D+01  0.270526D+01  0.388388D+01
      6   0.620453D-01 -0.263086D+01 -0.164472D+02  0.104609D+02  0.483103D+01
               161           162           163           164           165 
      1   0.138139D+02 -0.891717D+01  0.180986D+01 -0.119957D+01 -0.246756D+00
      2  -0.207361D+02  0.964771D+01 -0.357536D+01  0.127448D+01  0.367766D+00
      3   0.692215D+01 -0.730537D+00  0.176549D+01 -0.749113D-01 -0.121010D+00
      4  -0.579704D+01  0.425778D+01  0.785302D+01  0.714390D+01  0.668200D+01
      5   0.433595D+01 -0.219427D+00  0.736321D+01  0.527541D+01  0.105038D+02
      6   0.162793D+02 -0.637042D+01  0.718435D+01  0.482673D+01  0.722640D+01
               166           167           168           169           170 
      1  -0.495254D+01 -0.118356D+02 -0.513903D+01 -0.513356D+01 -0.120297D+02
      2   0.637662D+01  0.136647D+02  0.430681D+01  0.373094D+00  0.692187D+01
      3  -0.142408D+01 -0.182910D+01  0.832223D+00  0.476047D+01  0.510780D+01
      4   0.556566D+01  0.845823D+01  0.522359D+01  0.129607D+02  0.111496D+02
      5   0.282627D+01  0.520463D+01  0.428157D+01  0.144041D+02  0.124814D+02
      6   0.466156D+01  0.819550D+01  0.978929D+01  0.147017D+02  0.209157D+02
               171           172           173           174           175 
      1  -0.180160D+02  0.369319D+01 -0.104310D+01  0.556633D+01  0.284686D+01
      2   0.142086D+01 -0.398384D+01  0.175346D+01 -0.279564D+00 -0.214077D+01
      3   0.165951D+02  0.290653D+00 -0.710356D+00 -0.528677D+01 -0.706086D+00
      4   0.120657D+02 -0.570184D+00 -0.141967D+01 -0.710452D+00 -0.156873D+01
      5   0.213707D+02  0.258256D+01  0.111869D+01  0.537303D+00  0.438762D+01
      6   0.311191D+02  0.293594D+00 -0.156186D+01  0.206269D+01 -0.635655D+00
               176           177           178           179           180 
      1  -0.474725D+01 -0.299540D+01  0.504376D+01 -0.146686D+01 -0.136273D+02
      2  -0.330512D+00 -0.917732D+01 -0.342327D+01 -0.735533D+01 -0.180398D+02
      3   0.507776D+01  0.121727D+02 -0.162049D+01  0.882219D+01  0.316671D+02
      4   0.582450D+01  0.569584D+01 -0.190895D+01  0.745998D+01  0.765294D+01
      5   0.403796D+01  0.118128D+02  0.651994D+01  0.483688D+01  0.237143D+02
      6   0.175127D+01  0.659366D+00 -0.360496D+00  0.353111D+01 -0.551336D+01
               181           182           183           184           185 
      1   0.807272D+02 -0.145456D+02  0.215589D+01 -0.518535D+01  0.446529D+01
      2  -0.369281D+02  0.309606D+01 -0.328639D+01 -0.118532D+01  0.178042D+01
      3  -0.437991D+02  0.114496D+02  0.113050D+01  0.637067D+01 -0.624571D+01
      4  -0.450216D+02  0.204900D+02 -0.311783D+01  0.152635D+02 -0.996793D+01
      5   0.195927D+02 -0.492072D+01  0.117873D+02 -0.109045D+01  0.174276D+01
      6  -0.394470D+01  0.311678D+01 -0.489180D+01  0.131024D+01 -0.195719D+01
               186           187           188           189           190 
      1   0.244756D+00 -0.624093D+01  0.117849D+01  0.561494D+01 -0.411314D+00
      2  -0.117362D+01  0.770182D+00 -0.325989D+00 -0.475885D+01  0.388321D+01
      3   0.928860D+00  0.547074D+01 -0.852504D+00 -0.856097D+00 -0.347190D+01
      4   0.101535D+01  0.500769D+01 -0.247302D+01 -0.194343D+01 -0.151999D+01
      5  -0.355424D-01  0.940534D+01 -0.789098D+00  0.949676D+00 -0.706135D+00
      6   0.140459D+01 -0.328617D+01  0.134363D+01  0.399869D+00 -0.147824D+01
               191           192           193           194           195 
      1  -0.126066D+02  0.427257D+01 -0.881383D+01 -0.311820D+02  0.817753D+01
      2   0.138107D+02 -0.258391D+01  0.577177D+01  0.449894D+02 -0.820792D+01
      3  -0.120410D+01 -0.168866D+01  0.304206D+01 -0.138074D+02  0.303973D-01
      4  -0.165527D+01  0.129744D+01  0.602438D+01 -0.255749D+02  0.667967D+01
      5  -0.256472D+00 -0.200427D+01 -0.326493D+01  0.438241D+01 -0.401649D+01
      6  -0.622849D+01  0.440202D+01 -0.101604D+01 -0.193553D+02  0.110313D+02
               196           197           198 
      1   0.892093D+00  0.613239D+01 -0.737055D+01
      2  -0.447621D+00 -0.491099D+01  0.394698D+01
      3  -0.444472D+00 -0.122140D+01  0.342357D+01
      4   0.891571D+00  0.329656D+01 -0.147389D+01
      5   0.680969D+00 -0.215010D+01  0.274387D+01
      6   0.173255D+01  0.980666D+01 -0.543487D+01
 Leave Link  716 at Thu Jul 22 21:38:49 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149677D+03  0.166961D+01 -0.227993D+01
      2   0.166961D+01  0.126403D+03  0.534057D+01
      3  -0.227993D+01  0.534057D+01  0.844680D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.302232D+01 -0.258149D+01  0.275980D+01
      2   0.107706D+02 -0.152707D+02  0.131656D+02
      3   0.128535D+01  0.356071D+02  0.122625D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.846459D+02 -0.134340D+02  0.874422D+01
      2   0.389615D+02  0.551849D+01 -0.567567D+01
      3   0.456844D+02  0.791553D+01 -0.306855D+01
      4  -0.231349D+02 -0.380531D+02 -0.322115D+02
      5   0.229971D+02 -0.324963D+02  0.370154D+02
      6  -0.147099D+02  0.715348D+01 -0.264833D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.681955D+00 -0.157492D+01 -0.699787D+00 -0.545077D+01  0.511215D+00
      2  -0.157492D+01 -0.260863D+01 -0.709257D+00  0.511215D+00 -0.231484D+01
      3  -0.699787D+00 -0.709257D+00 -0.232129D+01  0.117337D+01  0.988511D+00
                 6             7             8             9            10 
      1   0.117337D+01 -0.183039D+01  0.786285D+00 -0.399993D+01 -0.497443D+01
      2   0.988511D+00  0.786285D+00  0.147100D+01 -0.317367D+01  0.138352D+01
      3  -0.202830D+01 -0.399993D+01 -0.317367D+01 -0.862695D+00 -0.543914D+00
                11            12            13            14            15 
      1   0.138352D+01 -0.543914D+00  0.271781D+01  0.208496D+01  0.135752D+01
      2  -0.289378D+01 -0.182658D-01  0.208496D+01  0.201381D+01 -0.610501D+00
      3  -0.182658D-01 -0.270547D+01  0.135752D+01 -0.610501D+00  0.601156D+00
                16            17            18            19            20 
      1   0.179450D+00  0.153168D+01 -0.518483D+01 -0.168250D+01  0.434247D+01
      2   0.153168D+01  0.290922D+00  0.115324D+01  0.434247D+01  0.124805D+01
      3  -0.518483D+01  0.115324D+01  0.171930D+01  0.578365D+00 -0.270471D+00
                21            22            23            24            25 
      1   0.578365D+00 -0.592148D+01  0.798768D+00 -0.196289D+00 -0.966906D+00
      2  -0.270471D+00  0.798768D+00 -0.217900D+01  0.112525D+01 -0.118100D+01
      3   0.661018D+00 -0.196289D+00  0.112525D+01 -0.189382D+01 -0.362315D+00
                26            27            28            29            30 
      1  -0.118100D+01 -0.362315D+00  0.155449D+02 -0.461551D+01 -0.194641D+00
      2   0.109662D+01 -0.364257D+01 -0.461551D+01  0.500516D+01  0.173245D+00
      3  -0.364257D+01 -0.275895D+01 -0.194641D+00  0.173245D+00  0.184264D+01
                31            32            33            34            35 
      1  -0.913541D+01 -0.176182D+01 -0.592182D+00 -0.162406D+01 -0.124174D+01
      2  -0.176182D+01 -0.682596D+00 -0.261960D-01 -0.124174D+01 -0.520671D+00
      3  -0.592182D+00 -0.261960D-01 -0.164551D+00  0.330723D+01 -0.156542D+01
                36            37            38            39            40 
      1   0.330723D+01  0.319154D+01  0.423200D+01  0.865692D+00  0.135426D+02
      2  -0.156542D+01  0.423200D+01  0.655883D+01  0.139331D+01  0.304774D+01
      3  -0.153387D+01  0.865692D+00  0.139331D+01  0.176563D+01  0.221112D+00
                41            42            43            44            45 
      1   0.304774D+01  0.221112D+00  0.294975D+01  0.274489D+00  0.229650D+01
      2   0.552655D+01 -0.355872D+00  0.274489D+00 -0.112712D+01  0.241521D+01
      3  -0.355872D+00  0.105951D+01  0.229650D+01  0.241521D+01  0.454319D+00
                46            47            48            49            50 
      1   0.146923D+01 -0.384742D+01 -0.429026D+00  0.536138D+01 -0.680105D+00
      2  -0.384742D+01 -0.270577D+01  0.423450D+00 -0.680105D+00  0.123193D+01
      3  -0.429026D+00  0.423450D+00  0.122563D+00  0.200958D+00 -0.942154D+00
                51            52            53            54            55 
      1   0.200958D+00  0.477824D+00  0.106058D+01 -0.187027D+01 -0.424188D+01
      2  -0.942154D+00  0.106058D+01 -0.760405D+00  0.357781D+01  0.354768D+01
      3   0.204735D+01 -0.187027D+01  0.357781D+01  0.243552D+01 -0.192408D+00
                56            57            58            59            60 
      1   0.354768D+01 -0.192408D+00  0.505228D+01 -0.476805D+01  0.714528D+00
      2  -0.326024D+01  0.867834D+00 -0.476805D+01 -0.171660D+01  0.177806D+01
      3   0.867834D+00 -0.250260D+01  0.714528D+00  0.177806D+01  0.356712D+01
                61            62            63            64            65 
      1  -0.273392D+01  0.133076D+01 -0.480297D+01 -0.666185D+01 -0.218578D+01
      2   0.133076D+01  0.611372D+00  0.472617D+01 -0.218578D+01  0.193450D+01
      3  -0.480297D+01  0.472617D+01  0.164673D+01 -0.229613D+01  0.195028D+00
                66            67            68            69            70 
      1  -0.229613D+01 -0.178953D+01  0.156930D+01  0.366971D+00 -0.415644D+01
      2   0.195028D+00  0.156930D+01  0.302994D+01 -0.134030D+01 -0.127772D+00
      3   0.610806D+00  0.366971D+00 -0.134030D+01 -0.149642D+01 -0.472457D+00
                71            72            73            74            75 
      1  -0.127772D+00 -0.472457D+00 -0.262861D+01 -0.926218D+00 -0.477814D+00
      2  -0.127025D+00 -0.246372D+01 -0.926218D+00 -0.235768D+01 -0.194852D+01
      3  -0.246372D+01  0.607726D+01 -0.477814D+00 -0.194852D+01 -0.188437D+01
                76            77            78            79            80 
      1  -0.116037D+01 -0.413466D+01 -0.149468D+01 -0.222407D+01 -0.303071D+01
      2  -0.413466D+01 -0.856551D+01  0.160351D+01 -0.303071D+01  0.151106D+01
      3  -0.149468D+01  0.160351D+01 -0.110879D+01 -0.348412D+01 -0.343027D+01
                81            82            83            84            85 
      1  -0.348412D+01 -0.748763D+01 -0.464750D+01 -0.401393D+00 -0.452427D+01
      2  -0.343027D+01 -0.464750D+01 -0.345012D+01 -0.249739D+00 -0.451130D+01
      3  -0.466488D+01 -0.401393D+00 -0.249739D+00 -0.571187D+00 -0.675857D+00
                86            87            88            89            90 
      1  -0.451130D+01 -0.675857D+00 -0.270242D+00 -0.517674D+00 -0.306016D-01
      2  -0.504603D+01 -0.624352D+00 -0.517674D+00 -0.877932D+00 -0.889679D-01
      3  -0.624352D+00 -0.581799D+00 -0.306016D-01 -0.889679D-01 -0.937739D-01
                91            92            93            94            95 
      1  -0.129213D+02  0.248126D+01  0.160366D+01  0.254187D+01 -0.212051D+01
      2   0.248126D+01 -0.113993D+01 -0.306942D+00 -0.212051D+01  0.104254D+01
      3   0.160366D+01 -0.306942D+00 -0.935475D+00 -0.675318D+00  0.340339D+00
                96            97            98            99           100 
      1  -0.675318D+00  0.165260D+01 -0.645766D+00 -0.182994D+00  0.519177D+00
      2   0.340339D+00 -0.645766D+00  0.255131D+00  0.969874D-01 -0.137675D+01
      3   0.310196D+00 -0.182994D+00  0.969874D-01  0.203718D+00 -0.333728D+00
               101           102           103           104           105 
      1  -0.137675D+01 -0.333728D+00 -0.878565D+00  0.741341D+00  0.155379D+00
      2   0.132956D+01  0.442125D+00  0.741341D+00 -0.100296D+02 -0.225128D+01
      3   0.442125D+00  0.239958D+00  0.155379D+00 -0.225128D+01 -0.128268D+01
               106           107           108           109           110 
      1  -0.298368D+00  0.439211D+00  0.275596D-01 -0.140866D+01  0.193983D+01
      2   0.439211D+00 -0.237557D+01 -0.601484D+00  0.193983D+01 -0.198356D+01
      3   0.275596D-01 -0.601484D+00 -0.354351D+00  0.499743D+00 -0.532562D+00
               111           112           113           114           115 
      1   0.499743D+00  0.170082D+01 -0.299137D+01 -0.680971D+00  0.480397D+00
      2  -0.532562D+00 -0.299137D+01  0.989970D+01  0.207757D+01 -0.816607D+00
      3  -0.363666D+00 -0.680971D+00  0.207757D+01  0.123060D+01 -0.262975D+00
               116           117           118           119           120 
      1  -0.816607D+00 -0.262975D+00  0.225603D+01 -0.155646D+01 -0.149567D+01
      2   0.212003D+01  0.541455D+00 -0.155646D+01  0.109811D+01  0.459090D+00
      3   0.541455D+00  0.351309D+00 -0.149567D+01  0.459090D+00  0.146706D+01
               121           122           123           124           125 
      1  -0.352812D+01  0.248678D+01  0.105260D+01 -0.264064D+01  0.136263D+01
      2   0.248678D+01 -0.326106D+01 -0.228919D+01  0.136263D+01 -0.252593D+01
      3   0.105260D+01 -0.228919D+01 -0.304838D+01  0.281977D+01 -0.308964D+01
               126           127           128           129           130 
      1   0.281977D+01 -0.922619D+01  0.200458D+01  0.600750D+00 -0.168002D+01
      2  -0.308964D+01  0.200458D+01  0.285353D+01 -0.134112D+01  0.327852D+01
      3  -0.555218D+01  0.600750D+00 -0.134112D+01  0.226185D+01 -0.152491D+01
               131           132           133           134           135 
      1   0.327852D+01 -0.152491D+01  0.616669D+01 -0.280455D+01  0.331111D+01
      2   0.360176D+01 -0.150842D+01 -0.280455D+01  0.113493D+00 -0.375342D+01
      3  -0.150842D+01 -0.333630D+01  0.331111D+01 -0.375342D+01 -0.166812D+01
               136           137           138           139           140 
      1   0.117922D+01  0.583119D+00 -0.103110D+01  0.542855D+00  0.411039D+00
      2   0.583119D+00 -0.143318D+00 -0.237395D+00  0.411039D+00  0.841226D+00
      3  -0.103110D+01 -0.237395D+00  0.200223D+00 -0.548089D+00 -0.124899D+01
               141           142           143           144           145 
      1  -0.548089D+00 -0.150273D+01 -0.634919D+00  0.230316D+01  0.112011D+02
      2  -0.124899D+01 -0.634919D+00 -0.190856D+01  0.259596D+01  0.220710D+01
      3   0.167436D+01  0.230316D+01  0.259596D+01 -0.893452D+01  0.933469D+00
               146           147           148           149           150 
      1   0.220710D+01  0.933469D+00  0.143384D+01  0.135658D+01  0.134989D-01
      2   0.137998D+01 -0.446198D-01  0.135658D+01  0.498402D+00  0.294150D+00
      3  -0.446198D-01  0.113381D+01  0.134989D-01  0.294150D+00  0.305669D+00
               151           152           153           154           155 
      1   0.339998D+01  0.605690D+00  0.156507D+01 -0.137892D+00  0.918597D+00
      2   0.605690D+00  0.662918D+00  0.550956D+00  0.918597D+00 -0.818563D+00
      3   0.156507D+01  0.550956D+00  0.330752D-01 -0.356034D+00  0.227044D+00
               156           157           158           159           160 
      1  -0.356034D+00  0.204374D+01  0.211558D+01 -0.239670D+00 -0.381989D+00
      2   0.227044D+00  0.211558D+01  0.111855D+02 -0.200395D+01 -0.127021D+00
      3   0.110374D+00 -0.239670D+00 -0.200395D+01  0.128302D+01  0.788898D+00
               161           162           163           164           165 
      1  -0.127021D+00  0.788898D+00  0.252737D+01  0.129291D+01  0.163661D+01
      2  -0.351869D+01  0.227541D+01  0.129291D+01  0.940225D+00  0.945651D+00
      3   0.227541D+01 -0.669674D+00  0.163661D+01  0.945651D+00  0.155101D+01
               166           167           168           169           170 
      1   0.909357D+00  0.182536D+01  0.786692D+00  0.438293D+01  0.286384D+01
      2   0.182536D+01  0.309597D+01  0.155076D+01  0.286384D+01  0.342961D+01
      3   0.786692D+00  0.155076D+01  0.122843D+01  0.311121D+01  0.367431D+01
               171           172           173           174           175 
      1   0.311121D+01  0.475160D+00  0.280716D+00  0.614363D+00  0.103150D+01
      2   0.367431D+01  0.280716D+00 -0.575045D+00  0.120759D+00 -0.401492D+00
      3   0.693015D+01  0.614363D+00  0.120759D+00 -0.978633D+00  0.486740D+00
               176           177           178           179           180 
      1  -0.401492D+00  0.486740D+00  0.965849D+00  0.866230D-03  0.415478D+00
      2   0.100144D+01  0.117266D+01  0.866230D-03  0.150062D+01  0.118296D+01
      3   0.117266D+01  0.279333D+01  0.415478D+00  0.118296D+01  0.615775D+01
               181           182           183           184           185 
      1   0.138964D+02 -0.345066D+01  0.106875D+01 -0.137220D+01  0.145533D+01
      2  -0.345066D+01  0.180091D+01 -0.430548D+00  0.145533D+01 -0.126099D+01
      3   0.106875D+01 -0.430548D+00  0.126613D+01  0.818848D-01  0.219125D+00
               186           187           188           189           190 
      1   0.818848D-01 -0.167343D+01  0.594532D+00  0.975960D+00 -0.207192D+00
      2   0.219125D+00  0.594532D+00 -0.456098D+00  0.308101D-01 -0.103256D+01
      3   0.181710D+00  0.975960D+00  0.308101D-01  0.447992D-01  0.502435D-01
               191           192           193           194           195 
      1  -0.103256D+01  0.502435D-01 -0.143732D+01 -0.313198D+00  0.167003D-01
      2  -0.221223D+01  0.841907D+00 -0.313198D+00 -0.791253D+01  0.205128D+01
      3   0.841907D+00 -0.970365D+00  0.167003D-01  0.205128D+01 -0.134142D+01
               196           197           198 
      1  -0.352306D+00  0.277196D+00 -0.268469D+00
      2   0.277196D+00  0.113522D+01 -0.101209D+01
      3  -0.268469D+00 -0.101209D+01  0.103908D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.215507D+01  0.765983D+00 -0.406137D+01  0.280778D+01 -0.607960D+00
      2   0.259328D+01  0.175047D+01  0.479966D+01 -0.258669D+01 -0.281341D+01
      3  -0.657533D+01 -0.111994D+02 -0.117890D+01  0.883822D+01 -0.361046D+01
                 6             7             8             9            10 
      1  -0.884955D+00 -0.796639D+01  0.526178D+01  0.219817D+01  0.642036D+00
      2   0.636916D+01 -0.358750D+00  0.108843D+02  0.357477D+01 -0.945056D+00
      3   0.141464D+01  0.288870D+01  0.343003D+01 -0.471027D+01  0.521654D+01
                11            12            13            14            15 
      1   0.363522D+00  0.194926D+01 -0.282336D+00 -0.280238D+01  0.199455D+01
      2   0.284172D-02  0.789649D+01 -0.377025D+01  0.813333D+00 -0.253171D+01
      3  -0.960526D+01 -0.376918D+00  0.118436D+02  0.397194D+01 -0.182952D+01
                16            17            18            19            20 
      1   0.446483D+01  0.111065D+02  0.229006D+01  0.881870D+00 -0.103517D+01
      2   0.745209D+01 -0.517623D+01 -0.443741D+01 -0.498046D+01  0.316918D+01
      3   0.368312D+01 -0.133444D+01  0.202632D+01  0.929971D+01 -0.642116D+01
                21            22            23            24            25 
      1   0.287328D+01 -0.770572D+00  0.116437D+01 -0.360929D+01  0.369808D+01
      2  -0.151473D+01  0.165091D+01  0.642938D+00  0.240511D+01 -0.142948D+02
      3  -0.370588D+01  0.627315D+01 -0.761956D+01  0.102899D+00 -0.351209D+01
                26            27            28            29            30 
      1   0.469948D+00 -0.141822D+01  0.355737D+00  0.339165D-02  0.209487D+01
      2   0.327861D+01  0.372260D+01  0.257114D+01 -0.382709D+01 -0.164785D+01
      3   0.105029D+01 -0.575549D+01 -0.607989D+01  0.137467D+02  0.196373D+01
                31            32            33            34            35 
      1   0.289137D+00 -0.340383D+01 -0.110658D+01  0.396051D+01  0.986771D+01
      2  -0.218308D+01  0.933710D+00  0.204116D+00 -0.145598D+02 -0.327807D+00
      3   0.122110D+02 -0.112253D+02  0.153545D+01 -0.603824D+00 -0.162804D+01
                36            37            38            39            40 
      1   0.757809D+00 -0.217554D+01 -0.238164D+00 -0.154493D+01  0.547918D+00
      2   0.789555D+00 -0.220688D-01  0.196935D+00 -0.179066D+01  0.439142D+01
      3  -0.248339D+01 -0.236547D+01  0.988705D+01  0.268815D+01  0.119862D+02
                41            42            43            44            45 
      1  -0.834842D+00 -0.599276D+00 -0.443271D+01  0.784037D+01  0.171474D+01
      2  -0.311156D+01 -0.127310D+01 -0.142628D+02 -0.902464D+00  0.187603D+00
      3   0.201132D+02  0.152623D+01 -0.114094D+01  0.335178D+01  0.481302D+01
                46            47            48            49            50 
      1   0.915699D+00 -0.102829D+01 -0.101803D+01 -0.515595D+00  0.613126D-01
      2   0.529738D+00  0.188921D+01 -0.673182D+00  0.208642D+01  0.234989D+01
      3  -0.517391D+01 -0.151232D+02 -0.211305D+01  0.354400D+00  0.390459D+01
                51            52            53            54            55 
      1  -0.354887D+01  0.266661D+01  0.780766D+00 -0.102225D+01 -0.208699D+01
      2  -0.524613D+01 -0.109709D+02 -0.887468D+01 -0.367263D+01 -0.943851D+00
      3  -0.169068D+01 -0.225701D+01 -0.221976D+01  0.545864D+01 -0.183140D+00
                56            57            58            59            60 
      1   0.723315D+00 -0.317753D+01  0.272316D+00  0.462965D+01  0.571646D+00
      2   0.345522D+01 -0.150292D+01  0.436256D+01  0.339366D+00  0.674059D+01
      3  -0.415029D+01  0.806523D+00  0.103371D+02  0.129829D+02 -0.521211D+01
                61            62            63            64            65 
      1  -0.669620D+01  0.742512D+01  0.451866D+00  0.439378D+01 -0.221467D+01
      2  -0.160340D+02  0.102184D+02  0.121015D+01 -0.129319D+02 -0.898497D+00
      3   0.235319D+01 -0.583670D+01 -0.489349D+01  0.174230D+00 -0.113604D+02
                66            67            68            69            70 
      1  -0.721704D+00 -0.797999D+00 -0.245685D+01  0.136544D+01  0.120291D+01
      2   0.148570D+01  0.428667D+00 -0.568040D+00 -0.414058D+01 -0.941003D+01
      3  -0.372155D+01 -0.722465D+01 -0.758504D+01  0.518176D+01 -0.682529D+01
                71            72            73            74            75 
      1   0.561770D+01 -0.468380D+01  0.184408D+01  0.531862D+01  0.411842D+01
      2  -0.769225D+01  0.136025D+02  0.128857D+00 -0.162918D+01 -0.189874D+00
      3   0.349589D+01  0.556738D+01 -0.504308D+01 -0.406352D+01  0.109039D+01
                76            77            78            79            80 
      1   0.197911D+01 -0.884283D+01  0.863941D+00  0.112171D+02  0.140384D+02
      2  -0.187385D+01  0.302392D+01  0.167784D+00 -0.863929D+01 -0.294021D+01
      3   0.118736D+02 -0.895611D+00 -0.781827D+01 -0.523577D+00 -0.142312D+02
                81            82            83            84            85 
      1   0.103477D+02  0.267462D+00  0.485018D+00 -0.234517D+01 -0.405938D+00
      2  -0.361298D+01 -0.496171D+00 -0.438597D+00  0.358403D+01  0.887912D+00
      3  -0.562509D+01 -0.192947D+01 -0.544427D+01  0.507278D-01 -0.421692D+01
                86            87            88            89            90 
      1  -0.454079D-01 -0.256354D+01  0.114270D+01  0.130535D+01 -0.210353D+00
      2   0.949505D+00  0.303626D+01 -0.138379D+01 -0.937117D+00  0.195660D+00
      3  -0.904608D+01 -0.793053D+00 -0.108815D+01 -0.161976D+01  0.628954D-01
                91            92            93            94            95 
      1  -0.199602D+00 -0.587156D+00  0.119152D+01 -0.511257D-01  0.195126D+00
      2  -0.190444D+01  0.347165D+00  0.590597D+01  0.161830D+01 -0.769304D+00
      3   0.202082D+01 -0.537056D+01 -0.253384D+00 -0.417918D+01  0.290930D+01
                96            97            98            99           100 
      1  -0.698572D+00 -0.845275D+00  0.549282D+00 -0.128794D+00  0.298226D+00
      2  -0.166830D+01 -0.213423D+01  0.493526D+00 -0.661087D+00  0.684734D+00
      3   0.749382D+00 -0.183886D+01  0.146811D+01  0.142767D+00 -0.383735D+01
               101           102           103           104           105 
      1   0.518481D-01  0.959851D+00 -0.257830D+00  0.836679D+00 -0.461441D+01
      2  -0.100072D+01 -0.592555D-01 -0.129531D+01  0.251051D+01  0.615429D+00
      3   0.415134D+01  0.105882D+01  0.619333D+01 -0.129061D+02 -0.303079D+01
               106           107           108           109           110 
      1  -0.305844D+00  0.210409D+01 -0.717836D+00 -0.206983D+00  0.150159D+00
      2  -0.131504D+01  0.574741D+00 -0.243453D-01 -0.372651D+00  0.440833D+00
      3   0.143570D+01 -0.333434D+01 -0.472150D+00  0.812469D+00 -0.108003D+01
               111           112           113           114           115 
      1   0.117891D+01  0.120464D+00  0.661053D+00 -0.458081D+01 -0.308321D+00
      2   0.101619D+01  0.203831D+00 -0.331914D+01 -0.272555D+01 -0.791615D+00
      3  -0.329229D+00  0.474853D+00  0.149461D+02  0.305458D+01 -0.166399D+00
               116           117           118           119           120 
      1   0.192915D+01 -0.713623D+00 -0.828744D+00 -0.566059D+00  0.153966D+01
      2  -0.583853D-01 -0.412980D+00 -0.104004D+01  0.368459D+00  0.302770D+01
      3   0.330828D+01  0.355600D+00  0.126228D+01 -0.325328D+01  0.161391D+00
               121           122           123           124           125 
      1   0.326860D+00  0.510987D+00 -0.295611D+01  0.235887D+01  0.920115D+00
      2  -0.114918D+00 -0.263750D+01 -0.546746D+01  0.173029D+01 -0.430423D+01
      3   0.885158D+00  0.341376D+01  0.389479D+01  0.107139D+01  0.501183D+01
               126           127           128           129           130 
      1  -0.386730D+01  0.311330D+01  0.197230D+01  0.309908D+01 -0.191969D+01
      2  -0.839339D+01  0.122764D+02 -0.715786D+01  0.839129D+01 -0.698788D+01
      3   0.403522D+01  0.102918D+02 -0.143656D+02  0.195337D+01 -0.579063D+01
               131           132           133           134           135 
      1   0.425374D+01 -0.117415D+02  0.283335D+01 -0.643841D+01 -0.683282D+01
      2  -0.583250D+01 -0.780188D+01  0.612348D+01 -0.826217D+01 -0.618538D+01
      3  -0.185028D+02  0.767297D+01 -0.818017D-01  0.755240D+01  0.508487D+01
               136           137           138           139           140 
      1   0.642859D-01  0.734918D+00  0.218448D-01  0.885713D+00  0.265907D-01
      2  -0.487009D+00 -0.163870D+00  0.860665D+00 -0.414905D+00 -0.256946D+01
      3  -0.762805D+00  0.700649D+00 -0.194428D+00  0.294076D+01 -0.112188D+01
               141           142           143           144           145 
      1  -0.141068D+01 -0.140913D+01  0.216113D+01  0.678779D+01 -0.242691D+01
      2   0.349833D+01  0.954203D+00  0.486429D+01 -0.188133D+02  0.933072D+01
      3   0.234809D+01 -0.951785D+00  0.510013D+01 -0.285808D+01  0.686781D+01
               146           147           148           149           150 
      1  -0.825560D+00 -0.161473D+01 -0.838260D+00 -0.484953D+00 -0.132717D+01
      2   0.127518D+01  0.647706D+01  0.100346D+01  0.159555D+01  0.112972D+01
      3  -0.552599D+01  0.118188D+01 -0.645679D+00  0.255685D+00 -0.128431D+01
               151           152           153           154           155 
      1  -0.183069D+01 -0.703546D-01 -0.803677D+00  0.407315D+00 -0.983692D+00
      2   0.456262D+01  0.161951D+01  0.175924D+01  0.249973D+00  0.654268D+00
      3   0.254411D+01 -0.279757D+01  0.222553D+00 -0.145157D+01  0.166803D+00
               156           157           158           159           160 
      1  -0.188885D-01  0.216703D+01  0.660548D+01 -0.593804D+01 -0.222895D+01
      2   0.111386D+01 -0.673200D+00 -0.252570D+01  0.134502D+01  0.322822D+00
      3  -0.136955D+01  0.471438D+01 -0.903660D+01  0.234859D+01 -0.214287D+01
               161           162           163           164           165 
      1  -0.460850D+01  0.237941D+01 -0.339566D+01 -0.135274D+01 -0.378917D+01
      2   0.160601D+01 -0.873095D+00 -0.564221D+00  0.766873D+00  0.261264D+01
      3   0.517641D+01 -0.961328D+00  0.649832D+01  0.327009D+00  0.227823D+01
               166           167           168           169           170 
      1  -0.149466D+01 -0.172867D+01 -0.324131D+01 -0.739989D+01 -0.580046D+01
      2   0.694746D+00  0.112859D+01  0.149477D+01  0.139129D+01  0.319613D+01
      3  -0.307605D+00 -0.220654D+00  0.158486D+00  0.721823D+01  0.234597D+01
               171           172           173           174           175 
      1  -0.160112D+02  0.135261D+01 -0.145845D+01 -0.142669D+01 -0.596664D+00
      2   0.678039D+01  0.166572D+01 -0.263337D+00 -0.227541D+01 -0.974419D+00
      3   0.256433D+01 -0.963294D+00  0.849805D+00 -0.693051D+00  0.107341D+01
               176           177           178           179           180 
      1   0.514753D+01  0.483966D+01 -0.152080D+00  0.680627D+01  0.107579D+02
      2   0.363518D+01  0.666975D+01 -0.312046D+01  0.376430D+01  0.143979D+02
      3  -0.265234D+01 -0.363593D+01 -0.642100D+00 -0.433301D+01 -0.381160D+01
               181           182           183           184           185 
      1   0.263395D+00  0.106169D+01  0.251348D+01  0.903584D+00 -0.604989D+00
      2  -0.795042D+01  0.948231D+00  0.623039D+01  0.130239D+01 -0.561108D-01
      3  -0.143769D+02 -0.316609D+01 -0.311245D+00  0.138594D-01  0.182659D+01
               186           187           188           189           190 
      1  -0.228175D+00  0.124866D+01  0.102304D+01  0.216744D+00 -0.132430D+01
      2   0.587920D-01  0.141582D+01  0.314279D+00 -0.475661D+00  0.146768D+01
      3  -0.545286D+00  0.637394D+00 -0.316256D+00 -0.190018D+01  0.546508D+01
               191           192           193           194           195 
      1  -0.134082D+01 -0.182196D+01 -0.122923D+01 -0.495113D+01 -0.282020D+01
      2   0.278559D+01 -0.151349D+01  0.224389D+01  0.628024D+01 -0.288013D+01
      3   0.709568D+01 -0.166441D+01  0.718756D+01  0.209381D+02 -0.528273D+01
               196           197           198 
      1  -0.385012D+00  0.915091D+00  0.118615D+01
      2  -0.151323D+01 -0.217854D+01  0.247672D+01
      3  -0.571431D-01 -0.364007D+01  0.313748D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.298292D+01 -0.228249D+02 -0.341699D+01  0.296216D+02  0.212316D+00
      2  -0.216539D+01  0.161067D+02 -0.136829D+01 -0.283558D+02 -0.400037D+01
      3   0.514831D+01  0.671816D+01  0.478528D+01 -0.126571D+01  0.378806D+01
      4  -0.203093D+02  0.110133D+02  0.496853D+01  0.121812D+01 -0.156209D+02
      5   0.171676D+01  0.305167D+01  0.110391D+02 -0.695302D+01 -0.860790D+01
      6   0.236551D+01  0.296886D+01  0.943234D+01 -0.813616D+01 -0.469021D+01
                 6             7             8             9            10 
      1  -0.736450D+00  0.115055D+02  0.383008D+01  0.674402D+01 -0.109009D+02
      2   0.243702D+01 -0.124629D+02 -0.621774D+01 -0.109382D+02  0.667836D+01
      3  -0.170057D+01  0.957433D+00  0.238767D+01  0.419419D+01  0.422252D+01
      4  -0.106894D+02 -0.160661D+01 -0.105575D+02  0.132593D+02  0.762344D+01
      5   0.130837D+02  0.265034D+02  0.160166D+02  0.715239D+01  0.714404D+01
      6   0.290661D+01  0.874089D+01  0.116184D+02 -0.284874D+01  0.361571D+00
                11            12            13            14            15 
      1   0.726313D+01  0.792209D+01 -0.217714D+02 -0.193601D+02 -0.678535D+01
      2  -0.466691D+01 -0.287287D+01  0.184689D+02  0.177533D+02  0.831854D+01
      3  -0.259622D+01 -0.504922D+01  0.330255D+01  0.160681D+01 -0.153319D+01
      4   0.244781D+02 -0.292564D+00 -0.205876D+02  0.127028D+02  0.823514D+01
      5  -0.477348D+00  0.172149D+02 -0.118295D+02  0.561750D+01 -0.507071D+01
      6  -0.265444D+00 -0.426243D+01  0.677719D+01  0.399495D+01 -0.358798D+01
                16            17            18            19            20 
      1   0.436899D+01 -0.949239D+01  0.129645D+02  0.980430D+01  0.455630D+01
      2   0.216867D+01  0.673863D+01 -0.178584D+02 -0.790774D+01 -0.676912D+01
      3  -0.653766D+01  0.275375D+01  0.489387D+01 -0.189655D+01  0.221281D+01
      4  -0.141059D+02  0.382793D+01 -0.359617D+01  0.916644D+01 -0.229271D+02
      5   0.349045D+02 -0.616781D+01 -0.908594D+01 -0.195514D+01 -0.158911D+01
      6  -0.209131D+01  0.611323D+01 -0.339939D+01 -0.744093D+00  0.150142D+01
                21            22            23            24            25 
      1  -0.194359D+01  0.562191D+01  0.110254D+02  0.561486D+01 -0.162749D+01
      2   0.202580D+01  0.975459D+00 -0.165755D+02 -0.903395D+01  0.191514D+01
      3  -0.822084D-01 -0.659737D+01  0.555008D+01  0.341909D+01 -0.287649D+00
      4  -0.372963D+01  0.187879D+02  0.103318D+02  0.475912D+00  0.986465D+00
      5  -0.558477D+01  0.496470D+00  0.957414D+00  0.325102D+01  0.247197D+01
      6  -0.563468D+01  0.362304D+01 -0.133053D+02  0.543464D+01 -0.396286D-01
                26            27            28            29            30 
      1   0.411945D+01 -0.145983D+02 -0.217284D+02  0.914887D+01  0.275581D+01
      2  -0.109634D+02  0.322593D+00  0.135920D+02 -0.526021D+01 -0.187144D+00
      3   0.684392D+01  0.142757D+02  0.813644D+01 -0.388866D+01 -0.256867D+01
      4   0.329208D+01  0.951706D+01 -0.132050D+02  0.117724D+02  0.392442D+00
      5   0.806533D+01  0.797235D+01  0.468401D+01 -0.158482D+01 -0.112227D+01
      6   0.141288D+02  0.619788D+01 -0.354445D+01 -0.736100D-02 -0.284169D+01
                31            32            33            34            35 
      1  -0.169877D+01 -0.139783D+01 -0.117570D+00  0.878882D+01 -0.113158D+01
      2   0.709864D+01  0.771161D+01  0.195063D+01 -0.132392D+01 -0.382425D+00
      3  -0.539988D+01 -0.631378D+01 -0.183306D+01 -0.746491D+01  0.151400D+01
      4  -0.325134D+01  0.788519D+01  0.680488D+00 -0.471256D+01  0.104134D+01
      5  -0.301265D+01 -0.801032D+00 -0.919520D+00  0.423638D+01 -0.396764D+00
      6   0.503607D+01  0.237591D+01  0.185294D+01 -0.147092D+01  0.698764D+01
                36            37            38            39            40 
      1  -0.958849D+01 -0.154499D+02 -0.250215D+02 -0.477489D+01 -0.775942D+01
      2  -0.287013D+01  0.113244D+02  0.180304D+02  0.286184D+01 -0.173387D+01
      3   0.124586D+02  0.412551D+01  0.699111D+01  0.191305D+01  0.949329D+01
      4  -0.302088D+01 -0.386021D+01 -0.508929D+01  0.213037D+01  0.281429D+01
      5   0.113458D+01 -0.832255D+00  0.233293D+01 -0.142545D+01  0.502963D+01
      6  -0.759097D+00  0.665429D+01  0.401438D+01  0.292872D+01 -0.610586D+01
                41            42            43            44            45 
      1  -0.991551D+01  0.307129D+01 -0.279847D+00  0.575588D+01 -0.103492D+02
      2   0.103774D+02  0.377066D+00 -0.109695D+01 -0.406092D+01  0.898313D+00
      3  -0.461886D+00 -0.344836D+01  0.137679D+01 -0.169496D+01  0.945086D+01
      4  -0.537306D+01 -0.193472D+01  0.117765D+01  0.226548D+00 -0.194085D+01
      5  -0.161296D+01 -0.142348D+01  0.531042D+01 -0.336723D+01  0.316292D+00
      6   0.292411D+00  0.256143D+01  0.352684D+00  0.889343D+01 -0.176115D+01
                46            47            48            49            50 
      1   0.151625D+02  0.161601D+02 -0.124502D+01 -0.197367D+02  0.141640D+02
      2  -0.134271D+02 -0.106959D+02 -0.893359D+00  0.164656D+02 -0.202705D+02
      3  -0.173533D+01 -0.546419D+01  0.213838D+01  0.327111D+01  0.610646D+01
      4   0.456564D+01 -0.160654D+02 -0.583450D+01  0.126725D+02 -0.153162D+01
      5   0.373273D+01 -0.499502D+01 -0.421141D+01  0.115706D+01  0.478250D+01
      6  -0.708289D+01  0.225567D+01  0.452429D+00  0.375382D+01 -0.118569D+02
                51            52            53            54            55 
      1   0.383733D+01 -0.607407D+01 -0.103339D+01 -0.723643D+01  0.209741D+02
      2  -0.763368D+01  0.808112D+01 -0.767799D+01 -0.433090D+01 -0.101460D+02
      3   0.379635D+01 -0.200706D+01  0.871138D+01  0.115673D+02 -0.108281D+02
      4   0.503095D+01 -0.221182D+01  0.101905D+02 -0.138644D+02  0.132801D+02
      5  -0.982629D+01  0.862871D+01 -0.129211D+02 -0.763554D+01 -0.202949D+01
      6   0.577427D+01 -0.452430D+01  0.132239D+02  0.349523D+01  0.350070D+01
                56            57            58            59            60 
      1  -0.542419D+01  0.356554D+01 -0.485568D+01 -0.568655D+01  0.415764D+01
      2   0.308746D+01 -0.172152D+01 -0.438067D+00  0.486151D+01 -0.457948D+01
      3   0.233673D+01 -0.184402D+01  0.529374D+01  0.825041D+00  0.421839D+00
      4  -0.136213D+02  0.303410D+01 -0.260334D+02 -0.560278D+01  0.612747D+01
      5   0.358529D+01 -0.117884D+02  0.594258D+01  0.754620D+01  0.161618D+02
      6  -0.194261D+01  0.868251D+01  0.280030D+01 -0.426486D+01 -0.139490D+02
                61            62            63            64            65 
      1  -0.667640D+01  0.667089D+01  0.190429D+01 -0.357102D+02 -0.130894D+02
      2   0.243895D-01  0.732530D+00 -0.137192D+01  0.113841D+02  0.980665D+01
      3   0.665201D+01 -0.740342D+01 -0.532366D+00  0.243261D+02  0.328279D+01
      4   0.125220D+02 -0.124274D+01  0.245331D+02 -0.168458D+02  0.112667D+01
      5  -0.257248D+02  0.222887D+02  0.563597D+01 -0.109167D+02  0.613406D-02
      6   0.198963D+02 -0.168006D+02 -0.904485D+01 -0.392445D+01  0.596564D+00
                66            67            68            69            70 
      1  -0.117447D+02 -0.103729D+02  0.680779D+01  0.372676D-01 -0.218669D+02
      2   0.732862D+01  0.942443D+01  0.909748D+00 -0.635399D+01  0.920881D+01
      3   0.441606D+01  0.948499D+00 -0.771754D+01  0.631673D+01  0.126581D+02
      4  -0.320869D+01  0.442881D+01  0.140524D+02 -0.401677D+01 -0.727342D+01
      5   0.317988D+01  0.239592D+01 -0.653134D+01 -0.668447D+01 -0.147430D+01
      6   0.231124D+00 -0.220746D+01 -0.205158D+01 -0.386565D+01 -0.359167D+01
                71            72            73            74            75 
      1  -0.193738D+01  0.621771D+01  0.414013D+01  0.116322D+02  0.857370D+01
      2  -0.952554D+01  0.126706D+02  0.354969D+01 -0.481090D+01 -0.734205D+01
      3   0.114629D+02 -0.188883D+02 -0.768983D+01 -0.682130D+01 -0.123165D+01
      4   0.202984D+01 -0.120902D+02  0.251071D+01  0.340837D+00 -0.316826D+01
      5  -0.109950D+02  0.258277D+02 -0.984149D-01 -0.497562D+01 -0.733060D+01
      6  -0.766568D+00  0.175263D+02 -0.442053D+01 -0.894845D+01 -0.787567D+01
                76            77            78            79            80 
      1   0.218541D+02  0.285069D+02 -0.764488D+01  0.148247D+02 -0.663570D+01
      2  -0.192654D+02 -0.418575D+02  0.139853D+02 -0.674017D+01  0.199193D+02
      3  -0.258876D+01  0.133506D+02 -0.634043D+01 -0.808450D+01 -0.132836D+02
      4  -0.299993D+01 -0.113006D+02  0.142284D+01 -0.713226D+01 -0.227381D+01
      5  -0.731974D+01  0.244602D+01 -0.200479D+01 -0.123549D+02 -0.101189D+02
      6  -0.315843D+01  0.125314D+02 -0.612269D+01 -0.172582D+02 -0.192114D+02
                81            82            83            84            85 
      1   0.124959D+02  0.398039D+02  0.214043D+02  0.232661D+01  0.161402D+02
      2  -0.779453D+01 -0.131248D+02 -0.390362D+01 -0.101772D+01  0.215657D+01
      3  -0.470142D+01 -0.266792D+02 -0.175006D+02 -0.130888D+01 -0.182967D+02
      4  -0.113026D+02  0.435956D+02  0.328223D+02  0.241254D+01  0.375191D+02
      5  -0.154943D+02  0.509921D+01  0.268900D+01  0.655827D+01  0.553947D+01
      6  -0.202753D+02  0.617801D+00  0.503436D+00  0.295531D+01  0.254629D+01
                86            87            88            89            90 
      1   0.110508D+02  0.161262D+01  0.194333D-01  0.338331D+00  0.528875D+00
      2   0.780313D+01 -0.442763D+00  0.135750D+01  0.137357D+01  0.359862D+00
      3  -0.188539D+02 -0.116986D+01 -0.137693D+01 -0.171190D+01 -0.888737D+00
      4   0.388245D+02  0.445497D+01  0.425239D+01  0.468488D+01  0.257433D+01
      5   0.518458D+01  0.471201D+01  0.223695D+01  0.148236D+01  0.723344D+00
      6   0.245590D+01  0.429175D+01  0.145676D+01  0.175507D+01  0.117263D+01
                91            92            93            94            95 
      1   0.937657D+02 -0.169139D+02 -0.100304D+02 -0.150794D+02  0.113819D+02
      2  -0.529202D+02  0.859759D+01  0.678855D+01  0.656992D+01 -0.478706D+01
      3  -0.408455D+02  0.831634D+01  0.324183D+01  0.850947D+01 -0.659479D+01
      4  -0.267366D+02  0.127758D+02  0.294374D+01  0.201823D+02 -0.946875D+01
      5  -0.152532D+02  0.280414D+01  0.105960D+02  0.548767D+01 -0.301206D+01
      6   0.879043D-01 -0.631961D+00 -0.123524D+01 -0.175205D+01  0.672932D+00
                96            97            98            99           100 
      1   0.299823D+01 -0.116249D+02  0.371101D+01  0.342871D+01 -0.401233D+01
      2  -0.212961D+01  0.647807D+01 -0.205577D+01 -0.217729D+01  0.569271D+01
      3  -0.868613D+00  0.514684D+01 -0.165523D+01 -0.125141D+01 -0.168037D+01
      4  -0.285823D+01  0.624473D+01 -0.303447D+01 -0.198663D+01 -0.172827D+00
      5  -0.268779D+01  0.437729D+01 -0.989851D+00 -0.243100D+01  0.102970D+00
      6   0.214890D+01 -0.758117D+00  0.100088D+01  0.725015D+00  0.218331D+01
               101           102           103           104           105 
      1   0.708817D+01  0.246483D+01  0.393446D+01 -0.398367D+02 -0.940432D+01
      2  -0.726307D+01 -0.178958D+01 -0.397048D+01  0.543065D+02  0.964809D+01
      3   0.174904D+00 -0.675254D+00  0.360187D-01 -0.144698D+02 -0.243765D+00
      4   0.754417D+01  0.128658D+01  0.537750D+01  0.115492D+02  0.298358D+01
      5   0.103941D+01  0.150176D+01  0.986761D+00  0.380149D+01  0.180053D+01
      6  -0.312635D+01 -0.158488D+01 -0.949833D+00  0.166832D+02  0.100989D+02
               106           107           108           109           110 
      1   0.112209D+01 -0.923285D+01 -0.388476D+01  0.180693D+01 -0.264805D+01
      2  -0.114619D+01  0.111761D+02  0.425417D+01  0.363775D+01 -0.354468D+01
      3   0.240963D-01 -0.194325D+01 -0.369414D+00 -0.544468D+01  0.619273D+01
      4   0.125423D+01  0.191829D+01 -0.646672D+00 -0.127043D+02  0.172188D+02
      5   0.677573D+00  0.386128D+00 -0.212283D+00 -0.289494D+01  0.371240D+01
      6  -0.318707D+00  0.639902D+01  0.389310D+01  0.262852D+01 -0.300518D+01
               111           112           113           114           115 
      1  -0.345388D+00  0.276386D+01 -0.240216D+02 -0.512119D+01  0.144961D+00
      2  -0.327139D+00 -0.101056D+02  0.433142D+02  0.639358D+01 -0.174347D+01
      3   0.672526D+00  0.734174D+01 -0.192926D+02 -0.127238D+01  0.159851D+01
      4   0.392131D+01  0.190210D+02 -0.427328D+02 -0.885490D+01  0.491504D+01
      5   0.344348D+01  0.389198D+01 -0.799060D+01 -0.511296D+01  0.151254D+01
      6  -0.214438D+01 -0.439743D+01  0.137988D+02  0.930323D+01 -0.185443D+01
               116           117           118           119           120 
      1  -0.427614D+01 -0.296400D+01  0.465501D+01 -0.208433D+01 -0.332975D+01
      2   0.733942D+01  0.365578D+01 -0.379486D+01  0.122253D+01  0.262678D+01
      3  -0.306328D+01 -0.691778D+00 -0.860144D+00  0.861803D+00  0.702964D+00
      4  -0.100643D+02 -0.280740D+01 -0.907172D+01  0.990307D+01  0.477458D+01
      5  -0.253342D+01 -0.163117D+01 -0.859332D+01  0.426202D+01  0.116783D+02
      6   0.566586D+01  0.375730D+01  0.575721D+01 -0.277173D+01 -0.455587D+01
               121           122           123           124           125 
      1   0.951347D+00 -0.617294D+01 -0.566554D+01 -0.418095D+00 -0.571908D+01
      2  -0.102981D+01  0.614698D+01  0.323700D+01  0.374397D+01  0.311955D+00
      3   0.784611D-01  0.259584D-01  0.242854D+01 -0.332588D+01  0.540712D+01
      4   0.146827D+02 -0.146624D+02 -0.982502D+01  0.835460D+01 -0.107015D+02
      5   0.631679D+01 -0.987124D+01 -0.130625D+02  0.169874D+02 -0.130489D+02
      6  -0.619000D+01  0.129912D+02  0.152103D+02 -0.102351D+02  0.147914D+02
               126           127           128           129           130 
      1  -0.984168D+01 -0.576065D+02  0.233403D+02 -0.524873D+01  0.132998D+02
      2  -0.577324D+01  0.225192D+02 -0.196781D+02  0.105509D+01 -0.103272D+02
      3   0.156149D+02  0.350873D+02 -0.366217D+01  0.419364D+01 -0.297261D+01
      4  -0.135053D+02  0.304361D+02  0.593150D+01 -0.492986D+01  0.129000D+02
      5  -0.232590D+02 -0.693686D+01 -0.186525D+01  0.111476D+02 -0.571323D+01
      6   0.201063D+02 -0.182040D+01  0.805370D+01 -0.595195D+01  0.701313D+01
               131           132           133           134           135 
      1   0.234627D+02 -0.113257D+01  0.340511D+01 -0.288455D+01  0.783020D+01
      2  -0.256312D+02  0.161996D+02 -0.327858D+01  0.126387D+02  0.805486D+01
      3   0.216843D+01 -0.150670D+02 -0.126532D+00 -0.975411D+01 -0.158851D+02
      4   0.582674D+01 -0.466289D+01 -0.171018D+02  0.206853D+01 -0.229844D+02
      5  -0.664375D+00 -0.155198D+02  0.196961D+02 -0.194624D+02 -0.321629D+01
      6   0.913198D+01  0.565370D+01 -0.137492D+02  0.825215D+01 -0.452123D+01
               136           137           138           139           140 
      1   0.462003D+01  0.354953D+01 -0.424828D+01  0.152993D+01 -0.527875D+01
      2  -0.479724D+01 -0.236274D+01  0.253011D+01 -0.136803D+01  0.125845D+01
      3   0.177212D+00 -0.118679D+01  0.171816D+01 -0.161907D+00  0.402031D+01
      4   0.414547D+01  0.160230D+01 -0.321686D+01  0.444614D+01  0.368558D+01
      5  -0.546585D+01 -0.272378D+01  0.688191D+01 -0.352589D+01 -0.524858D+01
      6  -0.291264D+01 -0.524730D+00 -0.589950D-01 -0.240189D+01 -0.652800D+01
               141           142           143           144           145 
      1   0.357470D+01 -0.336417D+01  0.451208D+01 -0.139087D+02  0.679459D+02
      2  -0.197052D+00  0.824719D+01  0.243845D+01 -0.203132D+02 -0.327551D+02
      3  -0.337765D+01 -0.488302D+01 -0.695054D+01  0.342219D+02 -0.351908D+02
      4  -0.626064D+01 -0.627121D+01 -0.962732D+01  0.126670D+02  0.271111D+02
      5   0.691520D+01  0.158675D+02  0.114869D+02 -0.387441D+02  0.193491D+01
      6   0.113762D+02  0.646494D+01  0.105364D+02 -0.228135D+02  0.852647D+00
               146           147           148           149           150 
      1   0.104822D+02  0.622956D+01  0.570937D+01  0.598049D+01  0.118973D+00
      2  -0.330314D+01 -0.209995D+01 -0.202852D+00 -0.567239D+00  0.137209D+01
      3  -0.717909D+01 -0.412961D+01 -0.550652D+01 -0.541325D+01 -0.149106D+01
      4   0.146618D+02  0.142104D+01  0.131058D+02  0.543541D+01  0.193711D+01
      5  -0.509759D+00  0.907541D+01 -0.256509D+00  0.159312D+01  0.164042D+01
      6  -0.337709D+00  0.260200D+01 -0.219884D+00  0.921731D+00  0.203495D+01
               151           152           153           154           155 
      1   0.158253D+02  0.221669D+01  0.626132D+01 -0.537491D+00  0.500228D+01
      2  -0.758349D+01  0.106122D+01 -0.531728D+01  0.348010D+01 -0.564065D+01
      3  -0.824183D+01 -0.327791D+01 -0.944044D+00 -0.294261D+01  0.638375D+00
      4   0.708736D+01  0.458563D+01  0.463551D+01  0.139950D+01  0.835596D+01
      5   0.109256D+02  0.322994D+01  0.210795D+01 -0.550684D+00 -0.638596D+00
      6   0.303102D+01  0.193881D+01 -0.310176D+00 -0.261502D+01  0.151433D+01
               156           157           158           159           160 
      1  -0.229841D+01 -0.516048D+01 -0.418914D+02  0.773672D+01 -0.111438D+01
      2   0.170488D+01  0.904149D+01  0.676797D+02 -0.121756D+02 -0.160162D+01
      3   0.593527D+00 -0.388101D+01 -0.257883D+02  0.443887D+01  0.271600D+01
      4  -0.171545D+01  0.101078D+02  0.189290D+02 -0.314029D+01 -0.332980D+01
      5   0.279026D+01 -0.149227D+01 -0.295649D+01  0.270526D+01  0.388388D+01
      6   0.620453D-01 -0.263086D+01 -0.164472D+02  0.104609D+02  0.483103D+01
               161           162           163           164           165 
      1   0.138139D+02 -0.891717D+01  0.180986D+01 -0.119957D+01 -0.246756D+00
      2  -0.207361D+02  0.964771D+01 -0.357536D+01  0.127448D+01  0.367766D+00
      3   0.692215D+01 -0.730537D+00  0.176549D+01 -0.749113D-01 -0.121010D+00
      4  -0.579704D+01  0.425778D+01  0.785302D+01  0.714390D+01  0.668200D+01
      5   0.433595D+01 -0.219427D+00  0.736321D+01  0.527541D+01  0.105038D+02
      6   0.162793D+02 -0.637042D+01  0.718435D+01  0.482673D+01  0.722640D+01
               166           167           168           169           170 
      1  -0.495254D+01 -0.118356D+02 -0.513903D+01 -0.513356D+01 -0.120297D+02
      2   0.637662D+01  0.136647D+02  0.430681D+01  0.373094D+00  0.692187D+01
      3  -0.142408D+01 -0.182910D+01  0.832223D+00  0.476047D+01  0.510780D+01
      4   0.556566D+01  0.845823D+01  0.522359D+01  0.129607D+02  0.111496D+02
      5   0.282627D+01  0.520463D+01  0.428157D+01  0.144041D+02  0.124814D+02
      6   0.466156D+01  0.819550D+01  0.978929D+01  0.147017D+02  0.209157D+02
               171           172           173           174           175 
      1  -0.180160D+02  0.369319D+01 -0.104310D+01  0.556633D+01  0.284686D+01
      2   0.142086D+01 -0.398384D+01  0.175346D+01 -0.279564D+00 -0.214077D+01
      3   0.165951D+02  0.290653D+00 -0.710356D+00 -0.528677D+01 -0.706086D+00
      4   0.120657D+02 -0.570184D+00 -0.141967D+01 -0.710452D+00 -0.156873D+01
      5   0.213707D+02  0.258256D+01  0.111869D+01  0.537303D+00  0.438762D+01
      6   0.311191D+02  0.293594D+00 -0.156186D+01  0.206269D+01 -0.635655D+00
               176           177           178           179           180 
      1  -0.474725D+01 -0.299540D+01  0.504376D+01 -0.146686D+01 -0.136273D+02
      2  -0.330512D+00 -0.917732D+01 -0.342327D+01 -0.735533D+01 -0.180398D+02
      3   0.507776D+01  0.121727D+02 -0.162049D+01  0.882219D+01  0.316671D+02
      4   0.582450D+01  0.569584D+01 -0.190895D+01  0.745998D+01  0.765294D+01
      5   0.403796D+01  0.118128D+02  0.651994D+01  0.483688D+01  0.237143D+02
      6   0.175127D+01  0.659366D+00 -0.360496D+00  0.353111D+01 -0.551336D+01
               181           182           183           184           185 
      1   0.807272D+02 -0.145456D+02  0.215589D+01 -0.518535D+01  0.446529D+01
      2  -0.369281D+02  0.309606D+01 -0.328639D+01 -0.118532D+01  0.178042D+01
      3  -0.437991D+02  0.114496D+02  0.113050D+01  0.637067D+01 -0.624571D+01
      4  -0.450216D+02  0.204900D+02 -0.311783D+01  0.152635D+02 -0.996793D+01
      5   0.195927D+02 -0.492072D+01  0.117873D+02 -0.109045D+01  0.174276D+01
      6  -0.394470D+01  0.311678D+01 -0.489180D+01  0.131024D+01 -0.195719D+01
               186           187           188           189           190 
      1   0.244756D+00 -0.624093D+01  0.117849D+01  0.561494D+01 -0.411314D+00
      2  -0.117362D+01  0.770182D+00 -0.325989D+00 -0.475885D+01  0.388321D+01
      3   0.928860D+00  0.547074D+01 -0.852504D+00 -0.856097D+00 -0.347190D+01
      4   0.101535D+01  0.500769D+01 -0.247302D+01 -0.194343D+01 -0.151999D+01
      5  -0.355424D-01  0.940534D+01 -0.789098D+00  0.949676D+00 -0.706135D+00
      6   0.140459D+01 -0.328617D+01  0.134363D+01  0.399869D+00 -0.147824D+01
               191           192           193           194           195 
      1  -0.126066D+02  0.427257D+01 -0.881383D+01 -0.311820D+02  0.817753D+01
      2   0.138107D+02 -0.258391D+01  0.577177D+01  0.449894D+02 -0.820792D+01
      3  -0.120410D+01 -0.168866D+01  0.304206D+01 -0.138074D+02  0.303973D-01
      4  -0.165527D+01  0.129744D+01  0.602438D+01 -0.255749D+02  0.667967D+01
      5  -0.256472D+00 -0.200427D+01 -0.326493D+01  0.438241D+01 -0.401649D+01
      6  -0.622849D+01  0.440202D+01 -0.101604D+01 -0.193553D+02  0.110313D+02
               196           197           198 
      1   0.892093D+00  0.613239D+01 -0.737055D+01
      2  -0.447621D+00 -0.491099D+01  0.394698D+01
      3  -0.444472D+00 -0.122140D+01  0.342357D+01
      4   0.891571D+00  0.329656D+01 -0.147389D+01
      5   0.680969D+00 -0.215010D+01  0.274387D+01
      6   0.173255D+01  0.980666D+01 -0.543487D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.228258D+00      0.580174D+00      0.193525D+01
   y          0.459183D-01      0.116713D+00      0.389312D+00
   z         -0.127765D-01     -0.324747D-01     -0.108324D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.137577D+03      0.203868D+02      0.226833D+02
   yx         0.142876D+01      0.211720D+00      0.235570D+00
   yy         0.117520D+03      0.174147D+02      0.193764D+02
   zx        -0.229571D+01     -0.340189D+00     -0.378512D+00
   zy         0.520228D+01      0.770898D+00      0.857740D+00
   zz         0.775956D+02      0.114985D+02      0.127938D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120182D+03      0.178092D+02      0.198154D+02
   aniso      0.581867D+02      0.862239D+01      0.959370D+01
   xx         0.149677D+03      0.221798D+02      0.246783D+02
   yx         0.166961D+01      0.247410D+00      0.275281D+00
   yy         0.126403D+03      0.187310D+02      0.208410D+02
   zx        -0.227993D+01     -0.337851D+00     -0.375910D+00
   zy         0.534057D+01      0.791391D+00      0.880542D+00
   zz         0.844680D+02      0.125169D+02      0.139269D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.69428482         -0.93176003         -4.61669748
     6         -0.38397713          1.46501030         -4.73108323
     6          1.20186395         -2.05098395         -2.28967646
     6          0.63306044         -0.74419689         -0.08913120
     6         -0.44627950          1.65877247         -0.20412285
     6         -0.96412160          2.77134603         -2.52130509
     6          0.94046084         -1.59816551          2.62169109
     6          0.70705085          0.91829068          4.10019644
     6         -0.91515494          2.66912889          2.42024556
     1          1.14767162         -1.92552912         -6.34643646
     1         -0.76370092          2.32188632         -6.54954512
     1          2.04372014         -3.91608937         -2.20669257
     1         -1.79666858          4.63957027         -2.61871280
     1          2.79417138         -2.45652136          2.92630418
     6         -1.09305642         -3.52456920          3.36336559
     1          2.58142434          1.74927020          4.32925302
     1         -0.08796024          0.64985813          5.98238464
     1         -0.40266212          4.65629631          2.62052585
     1         -2.92297333          2.52044927          2.89735470
     1         -2.98113451         -2.72227648          3.13378915
     1         -0.87388623         -4.10473850          5.33168010
     1         -0.98278719         -5.20940403          2.17920099

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.233181D+00      0.592687D+00      0.197699D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.812907D+02      0.120460D+02      0.134030D+02
   yx        -0.127382D+02     -0.188761D+01     -0.210025D+01
   yy         0.114098D+03      0.169076D+02      0.188122D+02
   zx        -0.144736D+01     -0.214477D+00     -0.238638D+00
   zy        -0.320912D+01     -0.475542D+00     -0.529112D+00
   zz         0.137304D+03      0.203463D+02      0.226383D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120182D+03      0.178092D+02      0.198154D+02
   aniso      0.581867D+02      0.862239D+01      0.959370D+01
   xx         0.883047D+02      0.130854D+02      0.145595D+02
   yx        -0.132310D+02     -0.196063D+01     -0.218149D+01
   yy         0.122891D+03      0.182106D+02      0.202621D+02
   zx        -0.168750D+01     -0.250062D+00     -0.278231D+00
   zy        -0.367209D+01     -0.544148D+00     -0.605446D+00
   zz         0.149351D+03      0.221316D+02      0.246247D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-37\Freq\RB3LYP\Gen\C10H12\PIERPA\22-Jul-2021\0\\#P B3
 LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,M
 axCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculatio
 ns.\\0,1\C,-2.295974,-1.028853,-0.128687\C,-2.606029,0.291875,0.183416
 \C,-0.973478,-1.40911,-0.342457\C,0.029531,-0.455263,-0.247794\C,-0.28
 1499,0.868664,0.064239\C,-1.598106,1.247679,0.283733\C,1.52367,-0.6393
 14,-0.39664\C,2.019669,0.816964,-0.580832\C,0.972315,1.705463,0.12574\
 H,-3.088043,-1.762337,-0.209833\H,-3.637708,0.578196,0.343549\H,-0.735
 344,-2.437795,-0.586593\H,-1.844116,2.275439,0.52314\H,1.76059,-1.2432
 1,-1.276257\C,2.130571,-1.320158,0.83597\H,2.034988,1.060247,-1.645001
 \H,3.029412,0.962676,-0.195614\H,0.857874,2.679448,-0.352616\H,1.25013
 2,1.896413,1.167459\H,1.938821,-0.733184,1.737056\H,3.211182,-1.433117
 ,0.725825\H,1.698191,-2.310454,0.988755\\Version=ES64L-G16RevA.03\Stat
 e=1-A\HF=-388.4836191\RMSD=4.886e-09\RMSF=5.248e-06\ZeroPoint=0.192171
 8\Thermal=0.2004692\Dipole=0.2282579,0.0459183,-0.0127765\DipoleDeriv=
 -0.0311354,0.0369779,-0.0027796,0.1002657,0.011351,0.0271671,0.0049391
 ,0.0276339,-0.1422782,0.0204205,-0.0143791,-0.0280038,-0.0831313,-0.04
 61065,0.028946,-0.037123,0.0235127,-0.141863,-0.0572241,0.0097003,-0.0
 162836,-0.0040739,0.10699,0.0579652,-0.0181179,0.0536212,-0.1009364,0.
 1601963,-0.0565253,0.0042734,-0.2212679,-0.1499346,0.0073362,-0.031271
 8,-0.0060912,-0.1043181,0.0256414,0.1429938,0.0070807,0.2649573,0.0170
 143,-0.0001154,0.1046268,0.0449979,-0.0719923,-0.0347482,-0.0896797,-0
 .0263031,-0.0578629,0.0982136,0.0527137,-0.0262653,0.043089,-0.105795,
 0.0779047,-0.0493497,-0.0021617,0.0207025,0.136373,-0.0009851,-0.05215
 69,0.0179925,0.1990549,0.1493524,0.0138901,0.027514,0.0307846,-0.00979
 77,-0.0099376,-0.0159108,0.0011101,0.1171152,0.0351144,-0.0075623,0.03
 1748,-0.0567136,0.1046061,-0.0314696,-0.0191767,-0.0655872,0.1614897,-
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 I WOULD TAKE COUNSEL OF MYSELF.
 I WOULD STOP AND LOOK WITHIN
 AND LOOKING WITHIN, LOOK BACK, ALSO
 THAT I MAY LOOK AHEAD WITH CLEARER UNDERSTANDING
 OF THE WAY I HAVE BEEN MOVING, AND IN WHAT DIRECTION.
 I NEED TO KNOW IF I AM GOING FORWARD OR RETREATING,
 WHETHER I HAVE BEEN WASTING, OR ENJOYING
 THE PRECIOUS MOMENTS OF LIFE.  THERE HAVE BEEN FRICTIONS,
 ANNOYANCES AND SOMETIMES WRATH,
 BUT WERE THEY BECAUSE I WAS RIGHT AND OTHERS WRONG.....
 HAVE I HAD MY THOUGHTS TOO SHARPLY FOCUSED
 ON THAT WHICH PLEASED ME, SERVED MY SELF-ESTEEM,
 UNDERGIRDED MY SECURITY,
 OF WHICH I DID NOT INQUIRE WHETHER IT SERVED OR HAMPERED OTHERS.....
 HAVE I BEEN TRYING TO STOP THE CLOCK
 TO HOLD THE WORLD
 IN PERPETUATION OF WHAT WAS AN IS ALREADY SLIPPING AWAY.....
 HAVE I BEEN CRITICAL OF OTHERS FOR WHAT REALLY NEEDED CHANGING IN ME...
 LET ME INDEED TAKE COUNSEL OF MYSELF
 AND SET MY DIRECTIONS STRAIGHT.

                          R.T. WESTON AS ADAPTED BY D. OSBORN 1967
 Job cpu time:       0 days  9 hours 22 minutes 15.3 seconds.
 Elapsed time:       0 days  1 hours 10 minutes 27.7 seconds.
 File lengths (MBytes):  RWF=    560 Int=      0 D2E=      0 Chk=     19 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 21:38:49 2021.
